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

C14H18F3NO — CID 21096919

IUPAC2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-2-1-3-13(10-12)18-7-4-11(5-8-18)6-9-19/h1-3,10-11,19H,4-9H2
InChIKeyOMHNRSSETISBEK-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.30
Rot. Bonds3

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

2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol (PubChem CID 21096919) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
PubChem CID21096919
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-2-1-3-13(10-12)18-7-4-11(5-8-18)6-9-19/h1-3,10-11,19H,4-9H2
InChIKeyOMHNRSSETISBEK-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 71166795
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 115745003
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351
2-ethoxy-1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 24780925
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
1-[4-[1-[3-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 11703667

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol (CID 21096919) is 2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol is OCCC1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
The InChIKey is OMHNRSSETISBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12-2-1-3-13(10-12)18-7-4-11(5-8-18)6-9-19/h1-3,10-11,19H,4-9H2.
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol has a molecular weight of 273.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 21096919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).