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3105-95-1 molecular structure
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piperidine-2-carboxylic acid

ChemBase ID: 15109
Molecular Formular: C6H11NO2
Molecular Mass: 129.15704
Monoisotopic Mass: 129.0789786
SMILES and InChIs

SMILES:
C1CCNC(C1)C(=O)O
Canonical SMILES:
OC(=O)C1CCCCN1
InChI:
InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
InChIKey:
HXEACLLIILLPRG-UHFFFAOYSA-N

Cite this record

CBID:15109 http://www.chembase.cn/molecule-15109.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperidine-2-carboxylic acid
IUPAC Traditional name
(+/-)-pipecolic acid
pipecolic acid
(+,-)-pipecolic acid
Synonyms
Pipecolic acid
Piperidine-2-carboxylic acid
DL-Pipecolinic acid
Piperidine-2-carboxylic acid 98%
2-Piperidinecarboxylic acid
DL-Homoproline
DL-Pipecolic acid
(±)-Piperidine-2-carboxylic acid
2-Piperidinecarboxylic acid
Homoproline
Pipecolic acid free base
Pipecolinic acid
2-Piperidinecarboxylic acid hydrochloride
DL-PIPECOLIC ACID HYDROCHLORIDE
PIPERCOLIC ACID
DL-Pipecolinic acid
Pipecolic acid
(RS)-2-Piperidinecarboxylic Acid
(±)-2-Piperidinecarboxylic Acid
(±)-Pipecolic Acid
(±)-Pipecolinic Acid
2-Carboxypiperidine
2-Pipecolinic Acid
2-Piperidinylcarboxylic Acid
DL-2-Piperidinecarboxylic Acid
DL-Pipecolic Acid
Dihydrobaikiane
Hexahydro-2-picolinic Acid
NSC 17125
Pipecolinic Acid
Piperidine-6-carboxylic Acid
Piperolinic Acid
α-Pipecolinic Acid
DL-Pipecolic Acid
DL-哌可酸
DL-高脯氨酸
DL-哌啶甲酸
(±)-哌啶-2-羧酸
2-哌啶甲酸
哌啶甲酸游离碱
高脯氨酸
哌啶甲酸
DL-2-哌啶酸
CAS Number
3105-95-1
5107-10-8
535-75-1
4043-87-2
EC Number
208-616-3
MDL Number
MFCD00064347
Beilstein Number
81095
Merck Index
147458
PubChem SID
160978416
24887568
24898555
PubChem CID
849
KEGG ID
C00408
MeSH Name
pipecolic+acid
Wikipedia Title
Pipecolic_acid

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0631034  H Acceptors
H Donor LogD (pH = 5.5) -2.124041 
LogD (pH = 7.4) -2.1243129  Log P -2.1239622 
Molar Refractivity 32.6653 cm3 Polarizability 13.120767 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
~280 °C (dec.) expand Show data source
272 - 274°C expand Show data source
282 °C (dec.)(lit.) expand Show data source
283°C expand Show data source
ca 280°C(dec) expand Show data source
ca 280°C dec. expand Show data source
Hydrophobicity(logP)
-1.854 expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
RTECS
TK6021000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
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German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.0% (NT) expand Show data source
95% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
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Empirical Formula (Hill Notation)
C6H11NO2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05217616 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02102662 external link
Hydrochloride
Crystalline
Sigma Aldrich - P45850 external link
Packaging
25, 100 g in poly bottle
Toronto Research Chemicals - P479760 external link
Pipecolic acid is involved in synaptic transmission in the central nervous system.

REFERENCES

REFERENCES

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  • • Nomura Y., et al.: Neurochem. Res., 6, 391 (1981)
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PATENTS

PATENTS

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INTERNET

INTERNET

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