1-benzyl-4-(3-methylsulfonylphenyl)piperidine

C19H23NO2S — CID 22397829

IUPAC1-benzyl-4-(3-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1cccc(C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H23NO2S/c1-23(21,22)19-9-5-8-18(14-19)17-10-12-20(13-11-17)15-16-6-3-2-4-7-16/h2-9,14,17H,10-13,15H2,1H3
InChIKeyKOPPWFMKOOMORI-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.47
Rot. Bonds4

About 1-benzyl-4-(3-methylsulfonylphenyl)piperidine

1-benzyl-4-(3-methylsulfonylphenyl)piperidine (PubChem CID 22397829) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-benzyl-4-(3-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-methylsulfonylphenyl)piperidine
PubChem CID22397829
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name1-benzyl-4-(3-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1cccc(C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H23NO2S/c1-23(21,22)19-9-5-8-18(14-19)17-10-12-20(13-11-17)15-16-6-3-2-4-7-16/h2-9,14,17H,10-13,15H2,1H3
InChIKeyKOPPWFMKOOMORI-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methylsulfonylphenyl)piperidine?
The IUPAC name of 1-benzyl-4-(3-methylsulfonylphenyl)piperidine (CID 22397829) is 1-benzyl-4-(3-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 1-benzyl-4-(3-methylsulfonylphenyl)piperidine?
The canonical SMILES for 1-benzyl-4-(3-methylsulfonylphenyl)piperidine is CS(=O)(=O)c1cccc(C2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-4-(3-methylsulfonylphenyl)piperidine?
The InChIKey is KOPPWFMKOOMORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-23(21,22)19-9-5-8-18(14-19)17-10-12-20(13-11-17)15-16-6-3-2-4-7-16/h2-9,14,17H,10-13,15H2,1H3.
What are the key properties of 1-benzyl-4-(3-methylsulfonylphenyl)piperidine?
1-benzyl-4-(3-methylsulfonylphenyl)piperidine has a molecular weight of 329.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 22397829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).