4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine

C14H18FNS — CID 59036693

IUPAC4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(Sc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNS/c1-2-9-16-10-7-14(8-11-16)17-13-5-3-12(15)4-6-13/h2-6,14H,1,7-11H2
InChIKeyJASFJKCSMJYMOG-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.57
Rot. Bonds4

About 4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine

4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine (PubChem CID 59036693) has the molecular formula C14H18FNS and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine
PubChem CID59036693
Molecular FormulaC14H18FNS
Molecular Weight251.37 g/mol
Exact Mass251.11
IUPAC Name4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(Sc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNS/c1-2-9-16-10-7-14(8-11-16)17-13-5-3-12(15)4-6-13/h2-6,14H,1,7-11H2
InChIKeyJASFJKCSMJYMOG-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-phenylsulfanylmethyl)-piperidine
CID 15147193
1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-benzenesulfinylmethyl)-piperidine
CID 15147197
N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine
CID 134131930
Phenyl piperidine-1-carbodithioate
CID 13816615
N,N-dimethyl-4-phenylsulfanylbutan-1-amine
CID 12272159
AC1Lgqzx
CID 875426
Sulfone, 4-fluorophenyl 2-piperidinoethyl, hydrochloride
CID 214239
1-[2-(Phenylsulfonyl)ethyl]piperidine
CID 786875
Piperidine, 1-(3-(phenylthio)propyl)-, monohydrochloride
CID 3038686
4-(Phenylthio)piperidine
CID 3731865
1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine
CID 10465560
4-((4-Fluorophenyl)sulfonyl)-1-(methylsulfonyl)piperidine
CID 71808837

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine (CID 59036693) is 4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine is C=CCN1CCC(Sc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine?
The InChIKey is JASFJKCSMJYMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNS/c1-2-9-16-10-7-14(8-11-16)17-13-5-3-12(15)4-6-13/h2-6,14H,1,7-11H2.
What are the key properties of 4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine?
4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine has a molecular weight of 251.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-1-prop-2-enylpiperidine is sourced from PubChem (CID 59036693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).