4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one

C20H29NO — CID 66756268

IUPAC4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one
SMILESO=C1CCC(C(CCc2ccccc2)N2CCCCC2)CC1
InChIInChI=1S/C20H29NO/c22-19-12-10-18(11-13-19)20(21-15-5-2-6-16-21)14-9-17-7-3-1-4-8-17/h1,3-4,7-8,18,20H,2,5-6,9-16H2
InChIKeyIPAFFDOHZFWYLQ-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.23
Rot. Bonds5

About 4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one

4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one (PubChem CID 66756268) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one
PubChem CID66756268
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one
SMILESO=C1CCC(C(CCc2ccccc2)N2CCCCC2)CC1
InChIInChI=1S/C20H29NO/c22-19-12-10-18(11-13-19)20(21-15-5-2-6-16-21)14-9-17-7-3-1-4-8-17/h1,3-4,7-8,18,20H,2,5-6,9-16H2
InChIKeyIPAFFDOHZFWYLQ-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]piperidine
CID 66756108
1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylpropyl]-4-methylpiperazine
CID 66755946
4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride
CID 67607516
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
3,3-dicyclohexylpropylbenzene
CID 86671113
1-(1-phenoxy-3-phenylpropyl)piperidine
CID 57051930
(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
CID 134922324
2-[2-[methyl-(2,4,6-trichlorophenyl)sulfonylamino]ethoxy]-N-[4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexyl]acetamide
CID 66703418
1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine
CID 142730750
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
4-benzylcycloheptan-1-one
CID 57223081
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one?
The IUPAC name of 4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one (CID 66756268) is 4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one.
What is the SMILES notation for 4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one?
The canonical SMILES for 4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one is O=C1CCC(C(CCc2ccccc2)N2CCCCC2)CC1.
What is the InChIKey of 4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one?
The InChIKey is IPAFFDOHZFWYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c22-19-12-10-18(11-13-19)20(21-15-5-2-6-16-21)14-9-17-7-3-1-4-8-17/h1,3-4,7-8,18,20H,2,5-6,9-16H2.
What are the key properties of 4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one?
4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one has a molecular weight of 299.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one is sourced from PubChem (CID 66756268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).