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63234-70-8 molecular structure
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piperidin-1-amine hydrochloride

ChemBase ID: 160434
Molecular Formular: C5H13ClN2
Molecular Mass: 136.62312
Monoisotopic Mass: 136.07672611
SMILES and InChIs

SMILES:
N1(CCCCC1)N.Cl
Canonical SMILES:
NN1CCCCC1.Cl
InChI:
InChI=1S/C5H12N2.ClH/c6-7-4-2-1-3-5-7;/h1-6H2;1H
InChIKey:
ZTNLXZOJUZAGRP-UHFFFAOYSA-N

Cite this record

CBID:160434 http://www.chembase.cn/molecule-160434.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperidin-1-amine hydrochloride
IUPAC Traditional name
N-aminopiperidine hydrochloride
Synonyms
1-Piperidinamine Hydrochloride
1-Piperidinamine Monohydrochloride
N-Aminopiperidine Hydrochloride
1-Aminopiperidine Hydrochloride
1-Aminopiperidine hydrochloride
piperidin-1-amine hydrochloride
1-氨基哌啶盐酸盐
CAS Number
63234-70-8
MDL Number
MFCD01701508
PubChem SID
162254569
PubChem CID
148996

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.66642547  LogD (pH = 7.4) -0.036162924 
Log P -0.017654063  Molar Refractivity 31.3195 cm3
Polarizability 12.067715 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
146-151°C expand Show data source
Hydrophobicity(logP)
-0.225 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A627915 external link
1-Aminopiperidine is a metabolite (M1) of the canabinoid receptor 1 antagonist Rimonabant (R517800), an antiobesity agent.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hillard, C., et al.: J. Neurochem., 69, 631 (1997)
  • • Bisogno, T., et al.: J. Biol. Chem., 272, 3315 (1997)
  • • Di Marzo, V., et al.: Life Sci., 65, 645 (1997)
  • • Goutopoulos, A., et al.: Bioorg. Med. Chem., 9, 1673 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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