2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

C15H20F3NO — CID 116685748

IUPAC2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCC1CCCC(CC(O)c2ccccc2C(F)(F)F)N1
InChIInChI=1S/C15H20F3NO/c1-10-5-4-6-11(19-10)9-14(20)12-7-2-3-8-13(12)15(16,17)18/h2-3,7-8,10-11,14,19-20H,4-6,9H2,1H3
InChIKeyJLBAZUKDTRJBMU-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.66
Rot. Bonds3

About 2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 116685748) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID116685748
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCC1CCCC(CC(O)c2ccccc2C(F)(F)F)N1
InChIInChI=1S/C15H20F3NO/c1-10-5-4-6-11(19-10)9-14(20)12-7-2-3-8-13(12)15(16,17)18/h2-3,7-8,10-11,14,19-20H,4-6,9H2,1H3
InChIKeyJLBAZUKDTRJBMU-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 116685748) is 2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is CC1CCCC(CC(O)c2ccccc2C(F)(F)F)N1.
What is the InChIKey of 2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is JLBAZUKDTRJBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10-5-4-6-11(19-10)9-14(20)12-7-2-3-8-13(12)15(16,17)18/h2-3,7-8,10-11,14,19-20H,4-6,9H2,1H3.
What are the key properties of 2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 287.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 116685748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).