2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

C15H20F3NO — CID 116685769

IUPAC2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCC1CCNC(CC(O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H20F3NO/c1-10-6-7-19-11(8-10)9-14(20)12-4-2-3-5-13(12)15(16,17)18/h2-5,10-11,14,19-20H,6-9H2,1H3
InChIKeyLNKGUKBATNFZQS-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.52
Rot. Bonds3

About 2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 116685769) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID116685769
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCC1CCNC(CC(O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H20F3NO/c1-10-6-7-19-11(8-10)9-14(20)12-4-2-3-5-13(12)15(16,17)18/h2-5,10-11,14,19-20H,6-9H2,1H3
InChIKeyLNKGUKBATNFZQS-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 81467198
2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685748
1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685633
1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685638
1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685626
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 116685768
2-piperidin-2-yl-1-[8-(trifluoromethyl)quinolin-4-yl]ethanol
CID 90669195
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 115816721
trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 100842374
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 114422580
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 116685769) is 2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is CC1CCNC(CC(O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is LNKGUKBATNFZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10-6-7-19-11(8-10)9-14(20)12-4-2-3-5-13(12)15(16,17)18/h2-5,10-11,14,19-20H,6-9H2,1H3.
What are the key properties of 2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 287.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 116685769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).