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

C14H18F3NOS — CID 60669610

IUPAC1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol
SMILESOC1CCCN(CCSc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)11-3-1-5-13(9-11)20-8-7-18-6-2-4-12(19)10-18/h1,3,5,9,12,19H,2,4,6-8,10H2
InChIKeyBFRRESNZCJJRKP-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.25
Rot. Bonds4

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

1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol (PubChem CID 60669610) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol
PubChem CID60669610
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol
SMILESOC1CCCN(CCSc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)11-3-1-5-13(9-11)20-8-7-18-6-2-4-12(19)10-18/h1,3,5,9,12,19H,2,4,6-8,10H2
InChIKeyBFRRESNZCJJRKP-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.25
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-ol?
The IUPAC name of 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol (CID 60669610) is 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol is OC1CCCN(CCSc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol?
The InChIKey is BFRRESNZCJJRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c15-14(16,17)11-3-1-5-13(9-11)20-8-7-18-6-2-4-12(19)10-18/h1,3,5,9,12,19H,2,4,6-8,10H2.
What are the key properties of 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol?
1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol has a molecular weight of 305.37 g/mol, XLogP of 3.25, 4 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-ol is sourced from PubChem (CID 60669610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).