1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one

C15H20ClNO — CID 79396945

IUPAC1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(CCc2ccc(Cl)cc2)C1C
InChIInChI=1S/C15H20ClNO/c1-11-12(2)17(10-8-15(11)18)9-7-13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRYJRTTUQUKKBEL-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.18
Rot. Bonds3

About 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one

1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one (PubChem CID 79396945) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one
PubChem CID79396945
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(CCc2ccc(Cl)cc2)C1C
InChIInChI=1S/C15H20ClNO/c1-11-12(2)17(10-8-15(11)18)9-7-13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRYJRTTUQUKKBEL-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one (CID 79396945) is 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one is CC1C(=O)CCN(CCc2ccc(Cl)cc2)C1C.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one?
The InChIKey is RYJRTTUQUKKBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-11-12(2)17(10-8-15(11)18)9-7-13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one?
1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one has a molecular weight of 265.78 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 79396945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).