4-benzyl-1-(2-phenylethylsulfonyl)piperidine

C20H25NO2S — CID 71699220

IUPAC4-benzyl-1-(2-phenylethylsulfonyl)piperidine
SMILESO=S(=O)(CCc1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H25NO2S/c22-24(23,16-13-18-7-3-1-4-8-18)21-14-11-20(12-15-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyZQOJSPYYQBFNLQ-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.51
Rot. Bonds6

About 4-benzyl-1-(2-phenylethylsulfonyl)piperidine

4-benzyl-1-(2-phenylethylsulfonyl)piperidine (PubChem CID 71699220) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 4-benzyl-1-(2-phenylethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(2-phenylethylsulfonyl)piperidine
PubChem CID71699220
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name4-benzyl-1-(2-phenylethylsulfonyl)piperidine
SMILESO=S(=O)(CCc1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H25NO2S/c22-24(23,16-13-18-7-3-1-4-8-18)21-14-11-20(12-15-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyZQOJSPYYQBFNLQ-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Benzyl-1-(3-iodobenzylsulfonyl)piperidine
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1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
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N-methyl-N-[2-phenyl-4-(4-phenyl-1-piperidyl)butyl]benzenesulfonamide
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(E)-1-benzyl-4-(styrylsulfonyl)piperazine
CID 882298
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CID 10809938
3-[1-(3-Phenylprop-2-yn-1-yl)piperidinium-1-yl]propane-1-sulfonate
CID 4642982
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CID 762677
1-(Benzylsulfonyl)azepane
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-phenylethylsulfonyl)piperidine?
The IUPAC name of 4-benzyl-1-(2-phenylethylsulfonyl)piperidine (CID 71699220) is 4-benzyl-1-(2-phenylethylsulfonyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(2-phenylethylsulfonyl)piperidine?
The canonical SMILES for 4-benzyl-1-(2-phenylethylsulfonyl)piperidine is O=S(=O)(CCc1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(2-phenylethylsulfonyl)piperidine?
The InChIKey is ZQOJSPYYQBFNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c22-24(23,16-13-18-7-3-1-4-8-18)21-14-11-20(12-15-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2.
What are the key properties of 4-benzyl-1-(2-phenylethylsulfonyl)piperidine?
4-benzyl-1-(2-phenylethylsulfonyl)piperidine has a molecular weight of 343.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-phenylethylsulfonyl)piperidine is sourced from PubChem (CID 71699220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).