1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one

C22H27ClN2O — CID 110252554

About 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one

1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 110252554) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
• PubChem CID: 110252554
• Molecular Formula: C22H27ClN2O
• Molecular Weight: 370.92 g/mol
• Exact Mass: 370.18
• IUPAC Name: 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
• SMILES: Cc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)C(C)C)C2)n1
• InChI: InChI=1S/C22H27ClN2O/c1-15(2)22(26)25-10-6-8-19(14-25)21-13-17(11-16(3)24-21)12-18-7-4-5-9-20(18)23/h4-5,7,9,11,13,15,19H,6,8,10,12,14H2,1-3H3
• InChIKey: IALUOARNLGRALJ-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 33.20 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.92
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?

The IUPAC name of 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one (CID 110252554) is 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one.

What is the SMILES notation for 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?

The canonical SMILES for 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one is Cc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)C(C)C)C2)n1.

What is the InChIKey of 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?

The InChIKey is IALUOARNLGRALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-15(2)22(26)25-10-6-8-19(14-25)21-13-17(11-16(3)24-21)12-18-7-4-5-9-20(18)23/h4-5,7,9,11,13,15,19H,6,8,10,12,14H2,1-3H3.

What are the key properties of 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?

1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 370.92 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110252554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).