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548769-02-4 molecular structure
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1-(piperidin-4-yl)pyrrolidin-2-one hydrochloride

ChemBase ID: 289330
Molecular Formular: C9H17ClN2O
Molecular Mass: 204.69708
Monoisotopic Mass: 204.10294085
SMILES and InChIs

SMILES:
Cl.O=C1CCCN1C1CCNCC1
Canonical SMILES:
O=C1CCCN1C1CCNCC1.Cl
InChI:
InChI=1S/C9H16N2O.ClH/c12-9-2-1-7-11(9)8-3-5-10-6-4-8;/h8,10H,1-7H2;1H
InChIKey:
PNPJJNPAAUMVJK-UHFFFAOYSA-N

Cite this record

CBID:289330 http://www.chembase.cn/molecule-289330.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(piperidin-4-yl)pyrrolidin-2-one hydrochloride
IUPAC Traditional name
1-(piperidin-4-yl)pyrrolidin-2-one hydrochloride
Synonyms
1-(Piperidin-4-yl)pyrrolidin-2-one hydrochloride
CAS Number
548769-02-4
MDL Number
MFCD02179174
PubChem SID
180674861
PubChem CID
23018840

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD219208 Please log in.
Data Source Data ID
PubChem 23018840 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.93234  LogD (pH = 7.4) -3.247443 
Log P -0.7121751  Molar Refractivity 47.311 cm3
Polarizability 18.585028 Å3 Polar Surface Area 32.34 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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