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63214-55-1 molecular structure
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N-cyclohexylpiperidine-4-carboxamide hydrochloride

ChemBase ID: 49758
Molecular Formular: C12H23ClN2O
Molecular Mass: 246.77682
Monoisotopic Mass: 246.14989105
SMILES and InChIs

SMILES:
C(=O)(NC1CCCCC1)C1CCNCC1.Cl
Canonical SMILES:
O=C(C1CCNCC1)NC1CCCCC1.Cl
InChI:
InChI=1S/C12H22N2O.ClH/c15-12(10-6-8-13-9-7-10)14-11-4-2-1-3-5-11;/h10-11,13H,1-9H2,(H,14,15);1H
InChIKey:
NFEWOIKMJZYUTQ-UHFFFAOYSA-N

Cite this record

CBID:49758 http://www.chembase.cn/molecule-49758.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclohexylpiperidine-4-carboxamide hydrochloride
IUPAC Traditional name
N-cyclohexylpiperidine-4-carboxamide hydrochloride
Synonyms
N-cyclohexylpiperidine-4-carboxamide hydrochloride
N-Cyclohexyl-4-piperidinecarboxamide hydrochloride
CAS Number
63214-55-1
MDL Number
MFCD08456915
PubChem SID
162054521
PubChem CID
44630870

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44630870 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.094019  H Acceptors
H Donor LogD (pH = 5.5) -2.1297388 
LogD (pH = 7.4) -1.5453078  Log P 1.0962361 
Molar Refractivity 60.8084 cm3 Polarizability 24.10781 Å3
Polar Surface Area 41.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
223 - 225°C expand Show data source
Hydrophobicity(logP)
0.565 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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