1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one

C15H20ClNO — CID 62617497

IUPAC1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-12-4-2-3-10-17(12)11-9-15(18)13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3
InChIKeyFEYMOWKECINCNC-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.79
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one

1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 62617497) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID62617497
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-12-4-2-3-10-17(12)11-9-15(18)13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3
InChIKeyFEYMOWKECINCNC-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one
CID 62612304
1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62629678
4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide
CID 21230989
1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 82071339
1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228420
1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 9473017
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
CID 17138717
1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228407
3-(4-chlorophenyl)-4-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215551
1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62035218
1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine
CID 54435929

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one (CID 62617497) is 1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one is CC1CCCCN1CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is FEYMOWKECINCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-12-4-2-3-10-17(12)11-9-15(18)13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 265.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 62617497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).