1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine

C14H20FNS — CID 155749263

IUPAC1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(Sc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FNS/c1-11(2)12-6-8-16(9-7-12)17-14-5-3-4-13(15)10-14/h3-5,10-12H,6-9H2,1-2H3
InChIKeyVEOFRWMZDZQSAO-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.20
Rot. Bonds3

About 1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine

1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine (PubChem CID 155749263) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine
PubChem CID155749263
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(Sc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FNS/c1-11(2)12-6-8-16(9-7-12)17-14-5-3-4-13(15)10-14/h3-5,10-12H,6-9H2,1-2H3
InChIKeyVEOFRWMZDZQSAO-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine 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 1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine?
The IUPAC name of 1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine (CID 155749263) is 1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine is CC(C)C1CCN(Sc2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine?
The InChIKey is VEOFRWMZDZQSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-11(2)12-6-8-16(9-7-12)17-14-5-3-4-13(15)10-14/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine?
1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine has a molecular weight of 253.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 155749263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).