2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol

C16H22F3NO2 — CID 117239219

IUPAC2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
SMILESCN1CCC(C(CO)COc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3NO2/c1-20-8-6-12(7-9-20)13(10-21)11-22-15-5-3-2-4-14(15)16(17,18)19/h2-5,12-13,21H,6-11H2,1H3
InChIKeyTXPLLNLKYMWVBN-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.03
Rot. Bonds5

About 2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol

2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol (PubChem CID 117239219) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
PubChem CID117239219
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
SMILESCN1CCC(C(CO)COc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3NO2/c1-20-8-6-12(7-9-20)13(10-21)11-22-15-5-3-2-4-14(15)16(17,18)19/h2-5,12-13,21H,6-11H2,1H3
InChIKeyTXPLLNLKYMWVBN-UHFFFAOYSA-N
XLogP3.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol 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

2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
CID 117237799
1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117245560
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
CID 117239259
2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238747
1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 117237301
3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237826
3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
CID 117245811
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 104753430
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
3-[[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-methylamino]-1-methylpyrrolidin-2-one
CID 71999796

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol (CID 117239219) is 2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol is CN1CCC(C(CO)COc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol?
The InChIKey is TXPLLNLKYMWVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-20-8-6-12(7-9-20)13(10-21)11-22-15-5-3-2-4-14(15)16(17,18)19/h2-5,12-13,21H,6-11H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol?
2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol has a molecular weight of 317.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 117239219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).