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

C12H16FNOS — CID 81043251

IUPAC4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol
SMILESOC1(CSc2ccccc2F)CCNCC1
InChIInChI=1S/C12H16FNOS/c13-10-3-1-2-4-11(10)16-9-12(15)5-7-14-8-6-12/h1-4,14-15H,5-9H2
InChIKeyXZWANQSXFSZMJG-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.03
Rot. Bonds3

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

4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol (PubChem CID 81043251) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol
PubChem CID81043251
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol
SMILESOC1(CSc2ccccc2F)CCNCC1
InChIInChI=1S/C12H16FNOS/c13-10-3-1-2-4-11(10)16-9-12(15)5-7-14-8-6-12/h1-4,14-15H,5-9H2
InChIKeyXZWANQSXFSZMJG-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 4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol?
The IUPAC name of 4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol (CID 81043251) is 4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol?
The canonical SMILES for 4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol is OC1(CSc2ccccc2F)CCNCC1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol?
The InChIKey is XZWANQSXFSZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-10-3-1-2-4-11(10)16-9-12(15)5-7-14-8-6-12/h1-4,14-15H,5-9H2.
What are the key properties of 4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol?
4-[(2-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 4-[(2-fluorophenyl)sulfanylmethyl]piperidin-4-ol is sourced from PubChem (CID 81043251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).