2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine

C18H22N2O2S — CID 95817967

IUPAC2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine
SMILESCS(=O)(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C18H22N2O2S/c1-23(21,22)20-12-10-16(11-13-20)18-9-5-8-17(19-18)14-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3
InChIKeyZVXVOFRAJOQHHY-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.81
Rot. Bonds4

About 2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine

2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine (PubChem CID 95817967) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine.

Molecular Properties

Compound Name2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine
PubChem CID95817967
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine
SMILESCS(=O)(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C18H22N2O2S/c1-23(21,22)20-12-10-16(11-13-20)18-9-5-8-17(19-18)14-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3
InChIKeyZVXVOFRAJOQHHY-UHFFFAOYSA-N
XLogP2.81
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide
CID 95809099
2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine
CID 95809192
N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide
CID 110150048
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809660
[4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone
CID 110150708
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
CID 95809601
2-[(3-fluorophenyl)methyl]-6-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine
CID 95810773
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95817970
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine
CID 95810677
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 95809413
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 110149919

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine?
The IUPAC name of 2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine (CID 95817967) is 2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine.
What is the SMILES notation for 2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine?
The canonical SMILES for 2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine is CS(=O)(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1.
What is the InChIKey of 2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine?
The InChIKey is ZVXVOFRAJOQHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-23(21,22)20-12-10-16(11-13-20)18-9-5-8-17(19-18)14-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3.
What are the key properties of 2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine?
2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine has a molecular weight of 330.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine is sourced from PubChem (CID 95817967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).