[6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone

C23H21ClN2O — CID 58211293

IUPAC[6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(-c2ccccc2Cl)n1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H21ClN2O/c24-20-10-5-4-9-19(20)21-11-6-12-22(25-21)23(27)26-15-13-18(14-16-26)17-7-2-1-3-8-17/h1-12,18H,13-16H2
InChIKeyKWXXBHBOMYPCEM-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.42
Rot. Bonds3

About [6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone

[6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 58211293) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is [6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID58211293
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name[6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(-c2ccccc2Cl)n1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H21ClN2O/c24-20-10-5-4-9-19(20)21-11-6-12-22(25-21)23(27)26-15-13-18(14-16-26)17-7-2-1-3-8-17/h1-12,18H,13-16H2
InChIKeyKWXXBHBOMYPCEM-UHFFFAOYSA-N
XLogP5.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone (CID 58211293) is [6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone is O=C(c1cccc(-c2ccccc2Cl)n1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is KWXXBHBOMYPCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c24-20-10-5-4-9-19(20)21-11-6-12-22(25-21)23(27)26-15-13-18(14-16-26)17-7-2-1-3-8-17/h1-12,18H,13-16H2.
What are the key properties of [6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
[6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 376.89 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 58211293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).