(4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone

C19H21ClN2O — CID 54496469

IUPAC(4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
SMILESCC1(Cc2cccnc2)CC(C(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C19H21ClN2O/c1-19(11-14-3-2-9-21-13-14)12-16(8-10-22-19)18(23)15-4-6-17(20)7-5-15/h2-7,9,13,16,22H,8,10-12H2,1H3
InChIKeyPNIJMTATBVBCQK-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.92
Rot. Bonds4

About (4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone

(4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone (PubChem CID 54496469) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
PubChem CID54496469
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
SMILESCC1(Cc2cccnc2)CC(C(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C19H21ClN2O/c1-19(11-14-3-2-9-21-13-14)12-16(8-10-22-19)18(23)15-4-6-17(20)7-5-15/h2-7,9,13,16,22H,8,10-12H2,1H3
InChIKeyPNIJMTATBVBCQK-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone (CID 54496469) is (4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone is CC1(Cc2cccnc2)CC(C(=O)c2ccc(Cl)cc2)CCN1.
What is the InChIKey of (4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is PNIJMTATBVBCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-19(11-14-3-2-9-21-13-14)12-16(8-10-22-19)18(23)15-4-6-17(20)7-5-15/h2-7,9,13,16,22H,8,10-12H2,1H3.
What are the key properties of (4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 328.84 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-methyl-2-(pyridin-3-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 54496469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).