2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol

C15H20F3NO — CID 71166795

IUPAC2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
SMILESCc1ccc(N2CCC(CCO)CC2)cc1C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-11-2-3-13(10-14(11)15(16,17)18)19-7-4-12(5-8-19)6-9-20/h2-3,10,12,20H,4-9H2,1H3
InChIKeyISMSFRALYUTHJH-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.61
Rot. Bonds3

About 2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol

2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol (PubChem CID 71166795) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
PubChem CID71166795
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
SMILESCc1ccc(N2CCC(CCO)CC2)cc1C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-11-2-3-13(10-14(11)15(16,17)18)19-7-4-12(5-8-19)6-9-20/h2-3,10,12,20H,4-9H2,1H3
InChIKeyISMSFRALYUTHJH-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methyl-3-(trifluoromethyl)phenyl]-4-propylazepane
CID 162613283
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919
2-[1-(2,5-dimethylphenyl)piperidin-4-yl]ethanol
CID 117003508
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarbothioamide
CID 114797684
4-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 43320702
2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107226950
[(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
CID 143518892
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
CID 117003534
2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227083
[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
CID 117027951
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol (CID 71166795) is 2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol is Cc1ccc(N2CCC(CCO)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
The InChIKey is ISMSFRALYUTHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-11-2-3-13(10-14(11)15(16,17)18)19-7-4-12(5-8-19)6-9-20/h2-3,10,12,20H,4-9H2,1H3.
What are the key properties of 2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol has a molecular weight of 287.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 71166795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).