1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C14H18F3NO — CID 55116078

IUPAC1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3NO/c1-2-18-8-6-13(19,7-9-18)11-4-3-5-12(10-11)14(15,16)17/h3-5,10,19H,2,6-9H2,1H3
InChIKeyMDLDLZGESSYWFA-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.01
Rot. Bonds2

About 1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 55116078) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID55116078
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3NO/c1-2-18-8-6-13(19,7-9-18)11-4-3-5-12(10-11)14(15,16)17/h3-5,10,19H,2,6-9H2,1H3
InChIKeyMDLDLZGESSYWFA-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
1-ethyl-4-(3-methylphenyl)piperidin-4-ol
CID 60894273
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3784702
1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 124758386
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 124758387
1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 56905869
butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 143404383
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501534
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol
CID 11716504
1-[4-(dimethylamino)phenyl]-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 154370321
1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 24815354
N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide
CID 171986071

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 55116078) is 1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is MDLDLZGESSYWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-2-18-8-6-13(19,7-9-18)11-4-3-5-12(10-11)14(15,16)17/h3-5,10,19H,2,6-9H2,1H3.
What are the key properties of 1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 273.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 55116078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).