3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol

C15H20F3NOS — CID 114681380

IUPAC3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol
SMILESCC1CN(CCSc2cccc(C(F)(F)F)c2)CCC1O
InChIInChI=1S/C15H20F3NOS/c1-11-10-19(6-5-14(11)20)7-8-21-13-4-2-3-12(9-13)15(16,17)18/h2-4,9,11,14,20H,5-8,10H2,1H3
InChIKeyHVMVFFMLXOXYDY-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.50
Rot. Bonds4

About 3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol

3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol (PubChem CID 114681380) has the molecular formula C15H20F3NOS and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol
PubChem CID114681380
Molecular FormulaC15H20F3NOS
Molecular Weight319.39 g/mol
Exact Mass319.12
IUPAC Name3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol
SMILESCC1CN(CCSc2cccc(C(F)(F)F)c2)CCC1O
InChIInChI=1S/C15H20F3NOS/c1-11-10-19(6-5-14(11)20)7-8-21-13-4-2-3-12(9-13)15(16,17)18/h2-4,9,11,14,20H,5-8,10H2,1H3
InChIKeyHVMVFFMLXOXYDY-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol (CID 114681380) is 3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol is CC1CN(CCSc2cccc(C(F)(F)F)c2)CCC1O.
What is the InChIKey of 3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol?
The InChIKey is HVMVFFMLXOXYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NOS/c1-11-10-19(6-5-14(11)20)7-8-21-13-4-2-3-12(9-13)15(16,17)18/h2-4,9,11,14,20H,5-8,10H2,1H3.
What are the key properties of 3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol?
3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol has a molecular weight of 319.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-ol is sourced from PubChem (CID 114681380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).