2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol

C12H16FNOS — CID 171543420

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol
SMILESOC1CCNC(CSc2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNOS/c13-9-1-3-12(4-2-9)16-8-10-7-11(15)5-6-14-10/h1-4,10-11,14-15H,5-8H2
InChIKeyFGLZNVCJBRNDOS-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.03
Rot. Bonds3

About 2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol

2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol (PubChem CID 171543420) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol
PubChem CID171543420
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol
SMILESOC1CCNC(CSc2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNOS/c13-9-1-3-12(4-2-9)16-8-10-7-11(15)5-6-14-10/h1-4,10-11,14-15H,5-8H2
InChIKeyFGLZNVCJBRNDOS-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol (CID 171543420) is 2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol is OC1CCNC(CSc2ccc(F)cc2)C1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol?
The InChIKey is FGLZNVCJBRNDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-9-1-3-12(4-2-9)16-8-10-7-11(15)5-6-14-10/h1-4,10-11,14-15H,5-8H2.
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol?
2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol has a molecular weight of 241.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol is sourced from PubChem (CID 171543420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).