[4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol

C16H23F3N2O — CID 156602324

IUPAC[4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
SMILESCN(C)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1CO
InChIInChI=1S/C16H23F3N2O/c1-20(2)15-6-7-21(10-13(15)11-22)9-12-4-3-5-14(8-12)16(17,18)19/h3-5,8,13,15,22H,6-7,9-11H2,1-2H3
InChIKeyYZJPQHZSEXLKMX-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.45
Rot. Bonds4

About [4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol

[4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol (PubChem CID 156602324) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is [4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
PubChem CID156602324
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name[4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
SMILESCN(C)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1CO
InChIInChI=1S/C16H23F3N2O/c1-20(2)15-6-7-21(10-13(15)11-22)9-12-4-3-5-14(8-12)16(17,18)19/h3-5,8,13,15,22H,6-7,9-11H2,1-2H3
InChIKeyYZJPQHZSEXLKMX-UHFFFAOYSA-N
XLogP2.45
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol (CID 156602324) is [4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol is CN(C)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1CO.
What is the InChIKey of [4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The InChIKey is YZJPQHZSEXLKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-20(2)15-6-7-21(10-13(15)11-22)9-12-4-3-5-14(8-12)16(17,18)19/h3-5,8,13,15,22H,6-7,9-11H2,1-2H3.
What are the key properties of [4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
[4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 316.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 156602324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).