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4-Phenyl-4-piperidinocyclohexanone

HCID 13306756
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Basic information

CAS
65620-13-5
Standard SMILES
O=C1CCC(c2ccccc2)(N2CCCCC2)CC1
InChIKey
HBVUBDNRZWJTSB-UHFFFAOYSA-N
Molecular formula
C17H23NO
Average molar mass
257.37 g/mol
Monoisotopic mass
257.17796436

Names & identifiers

Preferred name
4-Phenyl-4-piperidinocyclohexanone
IUPAC
4-phenyl-4-piperidin-1-ylcyclohexan-1-one

Names & synonyms

4-Phenyl-4-piperidinocyclohexanone65620-13-5SCHEMBL9431836HBVUBDNRZWJTSB-UHFFFAOYSA-NDTXSID6013369154-phenyl-4-(1-piperidinyl)cyclohexanoneDB-118097

Database identifiers

CAS
65620-13-5
PubChem CID
13306756
DTXSID
DTXSID601336915

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
303

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Related reactions

5 records
New reaction record
HRID 543462 reaction equation
HRID 543462As productuspto-grants-1984_05
HRID 800259 reaction equation
HRID 800259As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1462516 reaction equation
HRID 1462516As productuspto-grants-1984_07
HRID 1464238 reaction equation
HRID 1464238As reactantuspto-grants-1994_04
HRID 1464239 reaction equation
HRID 1464239As reactantuspto-grants-1994_04

Compound notes

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