4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine

C14H18FNO2S — CID 174310525

IUPAC4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine
SMILESC=CC(c1ccc(F)cc1)S(=O)(=O)C1CCNCC1
InChIInChI=1S/C14H18FNO2S/c1-2-14(11-3-5-12(15)6-4-11)19(17,18)13-7-9-16-10-8-13/h2-6,13-14,16H,1,7-10H2
InChIKeyMCPFNSHVKGUMHB-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.22
Rot. Bonds4

About 4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine

4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine (PubChem CID 174310525) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine
PubChem CID174310525
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine
SMILESC=CC(c1ccc(F)cc1)S(=O)(=O)C1CCNCC1
InChIInChI=1S/C14H18FNO2S/c1-2-14(11-3-5-12(15)6-4-11)19(17,18)13-7-9-16-10-8-13/h2-6,13-14,16H,1,7-10H2
InChIKeyMCPFNSHVKGUMHB-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine?
The IUPAC name of 4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine (CID 174310525) is 4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine?
The canonical SMILES for 4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine is C=CC(c1ccc(F)cc1)S(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine?
The InChIKey is MCPFNSHVKGUMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-2-14(11-3-5-12(15)6-4-11)19(17,18)13-7-9-16-10-8-13/h2-6,13-14,16H,1,7-10H2.
What are the key properties of 4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine?
4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine has a molecular weight of 283.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)prop-2-enylsulfonyl]piperidine is sourced from PubChem (CID 174310525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).