[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol

C15H20F3NOS — CID 60669833

IUPAC[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCSc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NOS/c16-15(17,18)13-4-1-5-14(9-13)21-8-7-19-6-2-3-12(10-19)11-20/h1,4-5,9,12,20H,2-3,6-8,10-11H2
InChIKeyBEFGSSDLCICGKE-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.50
Rot. Bonds5

About [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol

[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol (PubChem CID 60669833) has the molecular formula C15H20F3NOS and a molecular weight of 319.39 g/mol. Its IUPAC name is [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol
PubChem CID60669833
Molecular FormulaC15H20F3NOS
Molecular Weight319.39 g/mol
Exact Mass319.12
IUPAC Name[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCSc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NOS/c16-15(17,18)13-4-1-5-14(9-13)21-8-7-19-6-2-3-12(10-19)11-20/h1,4-5,9,12,20H,2-3,6-8,10-11H2
InChIKeyBEFGSSDLCICGKE-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol (CID 60669833) is [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol is OCC1CCCN(CCSc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol?
The InChIKey is BEFGSSDLCICGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NOS/c16-15(17,18)13-4-1-5-14(9-13)21-8-7-19-6-2-3-12(10-19)11-20/h1,4-5,9,12,20H,2-3,6-8,10-11H2.
What are the key properties of [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol?
[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol has a molecular weight of 319.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 60669833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).