4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine

C19H23NO2S — CID 10991121

IUPAC4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H23NO2S/c21-23(22,18-9-5-2-6-10-18)19-12-15-20(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2
InChIKeyXFTLHKDSWBEMSE-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.17
Rot. Bonds5

About 4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine

4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine (PubChem CID 10991121) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine
PubChem CID10991121
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC Name4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H23NO2S/c21-23(22,18-9-5-2-6-10-18)19-12-15-20(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2
InChIKeyXFTLHKDSWBEMSE-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 9795739
CID 9795739
CID 9795741
CID 9795741
CID 22397829
CID 22397829
CID 9836644
CID 9836644
CID 9908431
CID 9908431
CID 9885465
CID 9885465
CID 10861900
CID 10861900
CID 11418182
CID 11418182
CID 24900017
CID 24900017
CID 24900020
CID 24900020
CID 24900258
CID 24900258
CID 44387732
CID 44387732

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine (CID 10991121) is 4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine is O=S(=O)(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine?
The InChIKey is XFTLHKDSWBEMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c21-23(22,18-9-5-2-6-10-18)19-12-15-20(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2.
What are the key properties of 4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine?
4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine has a molecular weight of 329.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 10991121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).