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885949-15-5 molecular structure
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(3R)-piperidine-3-carboxylic acid hydrochloride

ChemBase ID: 796408
Molecular Formular: C6H12ClNO2
Molecular Mass: 165.61798
Monoisotopic Mass: 165.05565631
SMILES and InChIs

SMILES:
Cl.C1CCNC[C@@H]1C(=O)O
Canonical SMILES:
OC(=O)[C@@H]1CCCNC1.Cl
InChI:
InChI=1S/C6H11NO2.ClH/c8-6(9)5-2-1-3-7-4-5;/h5,7H,1-4H2,(H,8,9);1H/t5-;/m1./s1
InChIKey:
LRZWUDOLANRDSF-NUBCRITNSA-N

Cite this record

CBID:796408 http://www.chembase.cn/molecule-796408.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-piperidine-3-carboxylic acid hydrochloride
IUPAC Traditional name
(-)-nipecotic acid hydrochloride
Synonyms
(R)-Piperidine-3-carboxylic acid hydrochloride
CAS Number
885949-15-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2669 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2669 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7939725  H Acceptors
H Donor LogD (pH = 5.5) -2.442196 
LogD (pH = 7.4) -2.435833  Log P -2.4356241 
Molar Refractivity 32.9213 cm3 Polarizability 13.120767 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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