1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol

C14H18F3NO2 — CID 110910733

IUPAC1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
SMILESOC1CCN(CCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-3-1-2-4-13(12)20-10-9-18-7-5-11(19)6-8-18/h1-4,11,19H,5-10H2
InChIKeyTXJUBZLRCLZVHT-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol

1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol (PubChem CID 110910733) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
PubChem CID110910733
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
SMILESOC1CCN(CCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-3-1-2-4-13(12)20-10-9-18-7-5-11(19)6-8-18/h1-4,11,19H,5-10H2
InChIKeyTXJUBZLRCLZVHT-UHFFFAOYSA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[2-(trifluoromethyl)phenoxy]ethyl]azepan-4-yl]acetic acid;hydrochloride
CID 120953649
(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol
CID 78963291
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol
CID 39358873
4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol
CID 121418449
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 30075978
2-[(S)-(4-chlorophenyl)-[[1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methoxy]methyl]pyridine
CID 121413174
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol
CID 54409840
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole
CID 86816529
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol (CID 110910733) is 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol is OC1CCN(CCOc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol?
The InChIKey is TXJUBZLRCLZVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)12-3-1-2-4-13(12)20-10-9-18-7-5-11(19)6-8-18/h1-4,11,19H,5-10H2.
What are the key properties of 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol?
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol has a molecular weight of 289.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol is sourced from PubChem (CID 110910733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).