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690634-81-2 molecular structure
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2-(pyrrolidine-1-carbonyl)piperidine hydrochloride

ChemBase ID: 48930
Molecular Formular: C10H19ClN2O
Molecular Mass: 218.72366
Monoisotopic Mass: 218.11859092
SMILES and InChIs

SMILES:
C(=O)(N1CCCC1)C1NCCCC1.Cl
Canonical SMILES:
O=C(N1CCCC1)C1CCCCN1.Cl
InChI:
InChI=1S/C10H18N2O.ClH/c13-10(12-7-3-4-8-12)9-5-1-2-6-11-9;/h9,11H,1-8H2;1H
InChIKey:
RIAUQORBEIQABE-UHFFFAOYSA-N

Cite this record

CBID:48930 http://www.chembase.cn/molecule-48930.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyrrolidine-1-carbonyl)piperidine hydrochloride
IUPAC Traditional name
2-(pyrrolidine-1-carbonyl)piperidine hydrochloride
Synonyms
2-[(pyrrolidin-1-yl)carbonyl]piperidine hydrochloride
2-Piperidinyl(1-pyrrolidinyl)methanone hydrochloride
CAS Number
690634-81-2
MDL Number
MFCD06407992
PubChem SID
162053693
PubChem CID
2794693

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2794693 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6164126  LogD (pH = 7.4) -1.1052432 
Log P 0.39363423  Molar Refractivity 51.8219 cm3
Polarizability 20.424976 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
225 - 227°C expand Show data source
Hydrophobicity(logP)
0.752 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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