4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol

C21H24F3NO2 — CID 29259096

IUPAC4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol
SMILESOCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C21H24F3NO2/c22-21(23,24)19-4-2-1-3-17(19)13-20(15-26)9-11-25(12-10-20)14-16-5-7-18(27)8-6-16/h1-8,26-27H,9-15H2
InChIKeyQJMMCXYQOJAKSP-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.23
Rot. Bonds5

About 4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol

4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol (PubChem CID 29259096) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol
PubChem CID29259096
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol
SMILESOCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C21H24F3NO2/c22-21(23,24)19-4-2-1-3-17(19)13-20(15-26)9-11-25(12-10-20)14-16-5-7-18(27)8-6-16/h1-8,26-27H,9-15H2
InChIKeyQJMMCXYQOJAKSP-UHFFFAOYSA-N
XLogP4.23
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]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

[1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
CID 56760056
1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid
CID 126476503
[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 29255483
1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923
4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 82975258
1-[4-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 25454897
[4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol
CID 25275868
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol
CID 66700957
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol
CID 107160669
2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
CID 62399064

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol (CID 29259096) is 4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol is OCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol?
The InChIKey is QJMMCXYQOJAKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO2/c22-21(23,24)19-4-2-1-3-17(19)13-20(15-26)9-11-25(12-10-20)14-16-5-7-18(27)8-6-16/h1-8,26-27H,9-15H2.
What are the key properties of 4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol?
4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol has a molecular weight of 379.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 29259096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).