1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol

C13H18FNOS — CID 60669595

IUPAC1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol
SMILESOC1CCCN(CCSc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNOS/c14-11-3-5-13(6-4-11)17-9-8-15-7-1-2-12(16)10-15/h3-6,12,16H,1-2,7-10H2
InChIKeyFJNGLGFBEMRDLG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds4

About 1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol

1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol (PubChem CID 60669595) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol
PubChem CID60669595
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol
SMILESOC1CCCN(CCSc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNOS/c14-11-3-5-13(6-4-11)17-9-8-15-7-1-2-12(16)10-15/h3-6,12,16H,1-2,7-10H2
InChIKeyFJNGLGFBEMRDLG-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol (CID 60669595) is 1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol is OC1CCCN(CCSc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol?
The InChIKey is FJNGLGFBEMRDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-11-3-5-13(6-4-11)17-9-8-15-7-1-2-12(16)10-15/h3-6,12,16H,1-2,7-10H2.
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol?
1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol has a molecular weight of 255.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-ol is sourced from PubChem (CID 60669595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).