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343787-68-8 molecular structure
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1-cyclopentylpiperidin-4-one

ChemBase ID: 261751
Molecular Formular: C10H17NO
Molecular Mass: 167.24808
Monoisotopic Mass: 167.13101417
SMILES and InChIs

SMILES:
N1(CCC(=O)CC1)C1CCCC1
Canonical SMILES:
O=C1CCN(CC1)C1CCCC1
InChI:
InChI=1S/C10H17NO/c12-10-5-7-11(8-6-10)9-3-1-2-4-9/h9H,1-8H2
InChIKey:
OJEDWBCGPOCKJW-UHFFFAOYSA-N

Cite this record

CBID:261751 http://www.chembase.cn/molecule-261751.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopentylpiperidin-4-one
IUPAC Traditional name
1-cyclopentylpiperidin-4-one
Synonyms
1-cyclopentylpiperidin-4-one
1-cyclopentyl-4-piperidinone
CAS Number
343787-68-8
MDL Number
MFCD07374376
PubChem SID
164317661
PubChem CID
12653611

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12653611 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.790123  H Acceptors
H Donor LogD (pH = 5.5) -0.85923576 
LogD (pH = 7.4) 0.893666  Log P 1.5278347 
Molar Refractivity 48.8767 cm3 Polarizability 19.28913 Å3
Polar Surface Area 20.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.367 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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