4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine

C14H18FNO2S — CID 174310524

IUPAC4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine
SMILESO=S(=O)(CC=Cc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C14H18FNO2S/c15-13-5-3-12(4-6-13)2-1-11-19(17,18)14-7-9-16-10-8-14/h1-6,14,16H,7-11H2
InChIKeyNBVSDLAZARHBRF-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.01
Rot. Bonds4

About 4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine

4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine (PubChem CID 174310524) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine
PubChem CID174310524
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine
SMILESO=S(=O)(CC=Cc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C14H18FNO2S/c15-13-5-3-12(4-6-13)2-1-11-19(17,18)14-7-9-16-10-8-14/h1-6,14,16H,7-11H2
InChIKeyNBVSDLAZARHBRF-UHFFFAOYSA-N
XLogP2.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine 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-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine?
The IUPAC name of 4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine (CID 174310524) is 4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine?
The canonical SMILES for 4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine is O=S(=O)(CC=Cc1ccc(F)cc1)C1CCNCC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine?
The InChIKey is NBVSDLAZARHBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-13-5-3-12(4-6-13)2-1-11-19(17,18)14-7-9-16-10-8-14/h1-6,14,16H,7-11H2.
What are the key properties of 4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine?
4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine has a molecular weight of 283.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine is sourced from PubChem (CID 174310524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).