3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol

C14H18F3NO2 — CID 165429389

IUPAC3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol
SMILESOc1cccc(OCC2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)10-18-6-4-11(5-7-18)9-20-13-3-1-2-12(19)8-13/h1-3,8,11,19H,4-7,9-10H2
InChIKeyBWQBLHBSDOCOBS-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.05
Rot. Bonds4

About 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol

3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol (PubChem CID 165429389) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol.

Molecular Properties

Compound Name3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol
PubChem CID165429389
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol
SMILESOc1cccc(OCC2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)10-18-6-4-11(5-7-18)9-20-13-3-1-2-12(19)8-13/h1-3,8,11,19H,4-7,9-10H2
InChIKeyBWQBLHBSDOCOBS-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-iodophenoxy)methyl]-1-(2,2,2-trifluoroethyl)piperidine;hydrochloride
CID 165429386
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
3-[(3-bromophenoxy)methyl]-1-(2,2,2-trifluoroethyl)piperidine
CID 165429268
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
4-[(4-bromophenoxy)methyl]-1-(2,2,3,3,3-pentafluoropropyl)piperidine
CID 118110041
2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol
CID 58737652
2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 84674408
4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 72700347
4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-2-fluorophenyl]-2-fluorobenzoic acid
CID 129119656
1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
3-[2-(oxan-4-yl)ethoxy]phenol
CID 59526880
2-fluoro-4-[4-[[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]methoxy]phenyl]benzoic acid
CID 118118942

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol?
The IUPAC name of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol (CID 165429389) is 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol.
What is the SMILES notation for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol?
The canonical SMILES for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol is Oc1cccc(OCC2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol?
The InChIKey is BWQBLHBSDOCOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)10-18-6-4-11(5-7-18)9-20-13-3-1-2-12(19)8-13/h1-3,8,11,19H,4-7,9-10H2.
What are the key properties of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol?
3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol has a molecular weight of 289.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol is sourced from PubChem (CID 165429389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).