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

C14H20FNOS — CID 60669832

IUPAC[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCSc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNOS/c15-13-3-5-14(6-4-13)18-9-8-16-7-1-2-12(10-16)11-17/h3-6,12,17H,1-2,7-11H2
InChIKeyBSMGGKBDQATOMN-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.62
Rot. Bonds5

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

[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol (PubChem CID 60669832) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is [1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol
PubChem CID60669832
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCSc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNOS/c15-13-3-5-14(6-4-13)18-9-8-16-7-1-2-12(10-16)11-17/h3-6,12,17H,1-2,7-11H2
InChIKeyBSMGGKBDQATOMN-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{3-Allyl-1-[2-(phenylsulfonyl)ethyl]piperidin-3-yl}methanol
CID 70752283
1-[2-(2,5-Difluorophenyl)sulfanylethyl]piperidine-3-carboxylic acid
CID 153726904
1-[2-(4-Fluorophenyl)sulfanylethyl]piperidine-3-carboxylic acid
CID 43385920
2-(4-Fluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403321
2-(2-Fluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403350
3-(2-Fluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422214
2-(2,4-Difluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43422270
2-(3,4-Difluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43422271
3-(3,4-Difluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422277
2-[[(4-Fluorophenyl)methyl]thio]-1-[3-(hydroxymethyl)-1-piperidinyl]ethanone
CID 43422354
3-(4-Fluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422358
1-[2-(2-Fluorophenyl)sulfanylethyl]piperidine-3-carboxylic acid
CID 43440765

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol (CID 60669832) is [1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol is OCC1CCCN(CCSc2ccc(F)cc2)C1.
What is the InChIKey of [1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol?
The InChIKey is BSMGGKBDQATOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c15-13-3-5-14(6-4-13)18-9-8-16-7-1-2-12(10-16)11-17/h3-6,12,17H,1-2,7-11H2.
What are the key properties of [1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol?
[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]methanol has a molecular weight of 269.38 g/mol, XLogP of 2.62, 5 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-yl]methanol is sourced from PubChem (CID 60669832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).