1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone

C14H16F3NO2 — CID 645006

IUPAC1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16F3NO2/c1-10(19)18-7-5-13(20,6-8-18)11-3-2-4-12(9-11)14(15,16)17/h2-4,9,20H,5-8H2,1H3
InChIKeyCUJKQTPICAPGOY-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.54
Rot. Bonds1

About 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone

1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone (PubChem CID 645006) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
PubChem CID645006
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16F3NO2/c1-10(19)18-7-5-13(20,6-8-18)11-3-2-4-12(9-11)14(15,16)17/h2-4,9,20H,5-8H2,1H3
InChIKeyCUJKQTPICAPGOY-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-phenylpiperidin-4-ol
CID 78670
1-(3,3-Diphenyl-propyl)-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol
CID 11743914
4-Piperidinol, 4-(3-(trifluoromethyl)phenyl)-, hydrochloride (1:1)
CID 197746
3-Phenyl-1-piperidin-1-ylnonan-3-ol
CID 24761161
1-(4-Isopropylcyclohexyl)-4-[3-(trifluoromethyl)phenyl]piperidine-4-ol
CID 44339424
4-[3-(Trifluoromethyl)phenyl]-4-piperidinol
CID 75255
1-Ethyl-2,5-dimethyl-4-phenyl-4-piperidinol
CID 3104851
3-Phenyl-1-piperidin-1-ylhex-5-en-3-ol
CID 6602940
1-(4-Propyl-cyclohexyl)-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol
CID 44339425
1-Cyclooctylmethyl-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol
CID 44339596
1-[4-(3-Fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 1446465
Cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 1446508

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone (CID 645006) is 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The InChIKey is CUJKQTPICAPGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-10(19)18-7-5-13(20,6-8-18)11-3-2-4-12(9-11)14(15,16)17/h2-4,9,20H,5-8H2,1H3.
What are the key properties of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone has a molecular weight of 287.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 645006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).