4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine

C20H25NO2S — CID 10871642

IUPAC4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C20H25NO2S/c22-24(23,19-11-5-2-6-12-19)20-13-16-21(17-14-20)15-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,20H,7,10,13-17H2
InChIKeyPZLOABUPAFZHAF-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.56
Rot. Bonds6

About 4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine

4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine (PubChem CID 10871642) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine
PubChem CID10871642
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C20H25NO2S/c22-24(23,19-11-5-2-6-12-19)20-13-16-21(17-14-20)15-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,20H,7,10,13-17H2
InChIKeyPZLOABUPAFZHAF-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine?
The IUPAC name of 4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine (CID 10871642) is 4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine is O=S(=O)(c1ccccc1)C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine?
The InChIKey is PZLOABUPAFZHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c22-24(23,19-11-5-2-6-12-19)20-13-16-21(17-14-20)15-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,20H,7,10,13-17H2.
What are the key properties of 4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine?
4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine has a molecular weight of 343.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine is sourced from PubChem (CID 10871642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).