4-benzyl-1-benzylsulfonylpiperidine

C19H23NO2S — CID 669284

IUPAC4-benzyl-1-benzylsulfonylpiperidine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H23NO2S/c21-23(22,16-19-9-5-2-6-10-19)20-13-11-18(12-14-20)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyPDMZUNUOSXPLPU-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.47
Rot. Bonds5

About 4-benzyl-1-benzylsulfonylpiperidine

4-benzyl-1-benzylsulfonylpiperidine (PubChem CID 669284) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is 4-benzyl-1-benzylsulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-benzylsulfonylpiperidine
PubChem CID669284
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC Name4-benzyl-1-benzylsulfonylpiperidine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H23NO2S/c21-23(22,16-19-9-5-2-6-10-19)20-13-11-18(12-14-20)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyPDMZUNUOSXPLPU-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-1-benzylsulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-benzylsulfonylpiperidine?
The IUPAC name of 4-benzyl-1-benzylsulfonylpiperidine (CID 669284) is 4-benzyl-1-benzylsulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-benzylsulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-benzylsulfonylpiperidine is O=S(=O)(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-benzylsulfonylpiperidine?
The InChIKey is PDMZUNUOSXPLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c21-23(22,16-19-9-5-2-6-10-19)20-13-11-18(12-14-20)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2.
What are the key properties of 4-benzyl-1-benzylsulfonylpiperidine?
4-benzyl-1-benzylsulfonylpiperidine has a molecular weight of 329.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-benzylsulfonylpiperidine is sourced from PubChem (CID 669284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).