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

C15H20ClNO — CID 13343850

IUPAC1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one
SMILESCN1CCCCC1CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-17-11-3-2-4-14(17)9-10-15(18)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3
InChIKeyWJSNYMGAUILRTM-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.79
Rot. Bonds4

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

1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one (PubChem CID 13343850) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one
PubChem CID13343850
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one
SMILESCN1CCCCC1CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-17-11-3-2-4-14(17)9-10-15(18)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3
InChIKeyWJSNYMGAUILRTM-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one (CID 13343850) is 1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one is CN1CCCCC1CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one?
The InChIKey is WJSNYMGAUILRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-17-11-3-2-4-14(17)9-10-15(18)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(1-methylpiperidin-2-yl)propan-1-one?
1-(4-chlorophenyl)-3-(1-methylpiperidin-2-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-(1-methylpiperidin-2-yl)propan-1-one is sourced from PubChem (CID 13343850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).