1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol

C13H18FNS — CID 163988464

IUPAC1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol
SMILESCC(S)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C13H18FNS/c1-10(16)15-8-6-11(7-9-15)12-4-2-3-5-13(12)14/h2-5,10-11,16H,6-9H2,1H3
InChIKeyTYLPSSFHECPRES-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.28
Rot. Bonds2

About 1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol

1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol (PubChem CID 163988464) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol
PubChem CID163988464
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol
SMILESCC(S)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C13H18FNS/c1-10(16)15-8-6-11(7-9-15)12-4-2-3-5-13(12)14/h2-5,10-11,16H,6-9H2,1H3
InChIKeyTYLPSSFHECPRES-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol 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-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol?
The IUPAC name of 1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol (CID 163988464) is 1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol is CC(S)N1CCC(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol?
The InChIKey is TYLPSSFHECPRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-10(16)15-8-6-11(7-9-15)12-4-2-3-5-13(12)14/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol?
1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol has a molecular weight of 239.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol is sourced from PubChem (CID 163988464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).