1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one

C20H22ClNO — CID 46890851

IUPAC1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C20H22ClNO/c21-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(23)9-8-15-10-12-22-13-11-15/h1-7,14-15,22H,8-13H2
InChIKeyZWDLRUWERPOJLX-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.97
Rot. Bonds5

About 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one

1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one (PubChem CID 46890851) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one
PubChem CID46890851
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one
SMILESO=C(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C20H22ClNO/c21-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(23)9-8-15-10-12-22-13-11-15/h1-7,14-15,22H,8-13H2
InChIKeyZWDLRUWERPOJLX-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one (CID 46890851) is 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one is O=C(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one?
The InChIKey is ZWDLRUWERPOJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO/c21-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(23)9-8-15-10-12-22-13-11-15/h1-7,14-15,22H,8-13H2.
What are the key properties of 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one?
1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one has a molecular weight of 327.86 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 46890851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).