5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one

C16H22ClNO — CID 56982056

IUPAC5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
SMILESO=C(CCCCc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C16H22ClNO/c17-15-10-8-14(9-11-15)6-2-3-7-16(19)18-12-4-1-5-13-18/h8-11H,1-7,12-13H2
InChIKeyHUIYIWKMEGILOK-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.07
Rot. Bonds5

About 5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one

5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one (PubChem CID 56982056) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
PubChem CID56982056
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
SMILESO=C(CCCCc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C16H22ClNO/c17-15-10-8-14(9-11-15)6-2-3-7-16(19)18-12-4-1-5-13-18/h8-11H,1-7,12-13H2
InChIKeyHUIYIWKMEGILOK-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Piperidine, 1-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-
CID 692385
(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylamino-ethyl)-piperidin-1-yl]-ethanone(HCl)
CID 14810989
2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanone
CID 1124089
1-[4-(4-Chlorobenzoyl)piperidin-1-yl]ethanone
CID 544682
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
2-(3,4-dichlorophenyl)-1-[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 14810952
N-(4-chlorobenzyl)-4-phenylbutanamide
CID 885528
2-(4-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 2232369
(1-But-3-enoylpiperidin-3-yl)(4-chlorophenyl)methanone
CID 23723418
[1-(4-Chlorophenyl)cyclopropyl]-(4-phenylpiperidin-1-yl)methanone
CID 11588129
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpyrrolidin-1-yl)methanone
CID 11659861

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one?
The IUPAC name of 5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one (CID 56982056) is 5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for 5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one is O=C(CCCCc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one?
The InChIKey is HUIYIWKMEGILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-15-10-8-14(9-11-15)6-2-3-7-16(19)18-12-4-1-5-13-18/h8-11H,1-7,12-13H2.
What are the key properties of 5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one?
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one has a molecular weight of 279.81 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 56982056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).