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31967-08-5 molecular structure
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1-aminopiperidin-2-one hydrochloride

ChemBase ID: 293259
Molecular Formular: C5H11ClN2O
Molecular Mass: 150.60664
Monoisotopic Mass: 150.05599066
SMILES and InChIs

SMILES:
O=C1N(N)CCCC1.Cl
Canonical SMILES:
NN1CCCCC1=O.Cl
InChI:
InChI=1S/C5H10N2O.ClH/c6-7-4-2-1-3-5(7)8;/h1-4,6H2;1H
InChIKey:
FTOLAFFWSGITBE-UHFFFAOYSA-N

Cite this record

CBID:293259 http://www.chembase.cn/molecule-293259.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-aminopiperidin-2-one hydrochloride
IUPAC Traditional name
1-aminopiperidin-2-one hydrochloride
Synonyms
1-Aminopiperidin-2-one hydrochloride
CAS Number
31967-08-5
PubChem SID
180678790
PubChem CID
66839493

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD253843 Please log in.
Data Source Data ID
PubChem 66839493 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.44038254  LogD (pH = 7.4) -0.4316291 
Log P -0.43151632  Molar Refractivity 31.343 cm3
Polarizability 11.862813 Å3 Polar Surface Area 46.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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