2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine

C22H27ClN2 — CID 155405586

IUPAC2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine
SMILESCc1cc(-c2ccc(Cl)cc2)ncc1C1CCCN(C2CCCC2)C1
InChIInChI=1S/C22H27ClN2/c1-16-13-22(17-8-10-19(23)11-9-17)24-14-21(16)18-5-4-12-25(15-18)20-6-2-3-7-20/h8-11,13-14,18,20H,2-7,12,15H2,1H3
InChIKeyLKVSNGMVEMZZRO-UHFFFAOYSA-N
MW354.93 g/mol
LogP5.83
Rot. Bonds3

About 2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine

2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine (PubChem CID 155405586) has the molecular formula C22H27ClN2 and a molecular weight of 354.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine
PubChem CID155405586
Molecular FormulaC22H27ClN2
Molecular Weight354.93 g/mol
Exact Mass354.19
IUPAC Name2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine
SMILESCc1cc(-c2ccc(Cl)cc2)ncc1C1CCCN(C2CCCC2)C1
InChIInChI=1S/C22H27ClN2/c1-16-13-22(17-8-10-19(23)11-9-17)24-14-21(16)18-5-4-12-25(15-18)20-6-2-3-7-20/h8-11,13-14,18,20H,2-7,12,15H2,1H3
InChIKeyLKVSNGMVEMZZRO-UHFFFAOYSA-N
XLogP5.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.93
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine?
The IUPAC name of 2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine (CID 155405586) is 2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine?
The canonical SMILES for 2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine is Cc1cc(-c2ccc(Cl)cc2)ncc1C1CCCN(C2CCCC2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine?
The InChIKey is LKVSNGMVEMZZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2/c1-16-13-22(17-8-10-19(23)11-9-17)24-14-21(16)18-5-4-12-25(15-18)20-6-2-3-7-20/h8-11,13-14,18,20H,2-7,12,15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine?
2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine has a molecular weight of 354.93 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(1-cyclopentylpiperidin-3-yl)-4-methylpyridine is sourced from PubChem (CID 155405586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).