1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone

C15H20ClNO — CID 62332508

IUPAC1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)c2ccc(Cl)cc2)C(C)C1
InChIInChI=1S/C15H20ClNO/c1-11-7-8-17(12(2)9-11)10-15(18)13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPQEASHGKRPCSRO-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.64
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone

1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone (PubChem CID 62332508) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone
PubChem CID62332508
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)c2ccc(Cl)cc2)C(C)C1
InChIInChI=1S/C15H20ClNO/c1-11-7-8-17(12(2)9-11)10-15(18)13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPQEASHGKRPCSRO-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bupropion
CID 444
Diethylpropion
CID 7029
Bupropion Hydrochloride
CID 62884
Diethylpropion Hydrochloride
CID 91442
Bupropion Hydrobromide
CID 11984562
1-Propanone, 1-(4-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200370
(R)-Bupropion
CID 688387
3-Cec
CID 90645581
2-(Tert-butylamino)-1-(3-chlorophenyl)butan-1-one
CID 3027752
2-(Tert-butylamino)-1-(3-chlorophenyl)pentan-1-one
CID 3029724
1-(3-Chlorophenyl)-2-(dimethylamino)propan-1-one
CID 43794735
4-Chloro-alpha-PVP
CID 69245309

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone (CID 62332508) is 1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)c2ccc(Cl)cc2)C(C)C1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone?
The InChIKey is PQEASHGKRPCSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-11-7-8-17(12(2)9-11)10-15(18)13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone?
1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone has a molecular weight of 265.78 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62332508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).