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937725-08-1 molecular structure
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N-(2-methylpropyl)piperidine-3-carboxamide hydrochloride

ChemBase ID: 49471
Molecular Formular: C10H21ClN2O
Molecular Mass: 220.73954
Monoisotopic Mass: 220.13424098
SMILES and InChIs

SMILES:
C(=O)(C1CNCCC1)NCC(C)C.Cl
Canonical SMILES:
CC(CNC(=O)C1CCCNC1)C.Cl
InChI:
InChI=1S/C10H20N2O.ClH/c1-8(2)6-12-10(13)9-4-3-5-11-7-9;/h8-9,11H,3-7H2,1-2H3,(H,12,13);1H
InChIKey:
UXVNPWDLMPGEIL-UHFFFAOYSA-N

Cite this record

CBID:49471 http://www.chembase.cn/molecule-49471.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-methylpropyl)piperidine-3-carboxamide hydrochloride
IUPAC Traditional name
N-(2-methylpropyl)piperidine-3-carboxamide hydrochloride
Synonyms
N-Isobutyl-3-piperidinecarboxamide hydrochloride
N-isobutylpiperidine-3-carboxamide hydrochloride
CAS Number
937725-08-1
MDL Number
MFCD06796402
PubChem SID
162054234
PubChem CID
17750377

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17750377 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.283371  H Acceptors
H Donor LogD (pH = 5.5) -2.4888628 
LogD (pH = 7.4) -1.4707098  Log P 0.6971763 
Molar Refractivity 53.3844 cm3 Polarizability 21.152966 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)
Hydrophobicity(logP)
1.021 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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