1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine

C17H24FNS — CID 15147193

IUPAC1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine
SMILESFc1ccc(SCC2CCN(CCC3CC3)CC2)cc1
InChIInChI=1S/C17H24FNS/c18-16-3-5-17(6-4-16)20-13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2
InChIKeyOFCRYZNFAWFDNB-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.43
Rot. Bonds6

About 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine

1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine (PubChem CID 15147193) has the molecular formula C17H24FNS and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine
PubChem CID15147193
Molecular FormulaC17H24FNS
Molecular Weight293.45 g/mol
Exact Mass293.16
IUPAC Name1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine
SMILESFc1ccc(SCC2CCN(CCC3CC3)CC2)cc1
InChIInChI=1S/C17H24FNS/c18-16-3-5-17(6-4-16)20-13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2
InChIKeyOFCRYZNFAWFDNB-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]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 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine?
The IUPAC name of 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine (CID 15147193) is 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine.
What is the SMILES notation for 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine?
The canonical SMILES for 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine is Fc1ccc(SCC2CCN(CCC3CC3)CC2)cc1.
What is the InChIKey of 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine?
The InChIKey is OFCRYZNFAWFDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNS/c18-16-3-5-17(6-4-16)20-13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2.
What are the key properties of 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine?
1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine has a molecular weight of 293.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine is sourced from PubChem (CID 15147193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).