2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol

C16H22F3NO — CID 67533716

IUPAC2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol
SMILESCC(C)CN1CCC(c2cccc(C(F)(F)F)c2O)CC1
InChIInChI=1S/C16H22F3NO/c1-11(2)10-20-8-6-12(7-9-20)13-4-3-5-14(15(13)21)16(17,18)19/h3-5,11-12,21H,6-10H2,1-2H3
InChIKeyORJVODUKLHMZOB-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.25
Rot. Bonds3

About 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol

2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol (PubChem CID 67533716) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol
PubChem CID67533716
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol
SMILESCC(C)CN1CCC(c2cccc(C(F)(F)F)c2O)CC1
InChIInChI=1S/C16H22F3NO/c1-11(2)10-20-8-6-12(7-9-20)13-4-3-5-14(15(13)21)16(17,18)19/h3-5,11-12,21H,6-10H2,1-2H3
InChIKeyORJVODUKLHMZOB-UHFFFAOYSA-N
XLogP4.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[methyl(propan-2-yl)amino]-3-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-ol
CID 166386622
2-tert-butyl-6-cyclopropylphenol
CID 139975684
N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine
CID 162557176
2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline
CID 11594390
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91774516
1,1,1,3,3,3-hexafluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
CID 147996546
1-[2-chloro-3-(1-ethylpiperidin-4-yl)phenyl]-2,2,2-trifluoroethanone
CID 67532441
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
2-butan-2-yl-6-cyclopropylphenol
CID 3058303
1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine
CID 23143134
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
CID 175858113

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol?
The IUPAC name of 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol (CID 67533716) is 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol is CC(C)CN1CCC(c2cccc(C(F)(F)F)c2O)CC1.
What is the InChIKey of 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol?
The InChIKey is ORJVODUKLHMZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11(2)10-20-8-6-12(7-9-20)13-4-3-5-14(15(13)21)16(17,18)19/h3-5,11-12,21H,6-10H2,1-2H3.
What are the key properties of 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol?
2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol has a molecular weight of 301.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol is sourced from PubChem (CID 67533716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).