[3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol

C27H28F3NO2 — CID 24784708

IUPAC[3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol
SMILESOCc1cccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C27H28F3NO2/c28-27(29,30)25-15-21(14-23(16-25)22-6-4-5-20(13-22)17-32)18-33-19-26(9-11-31-12-10-26)24-7-2-1-3-8-24/h1-8,13-16,31-32H,9-12,17-19H2
InChIKeyQTKUERJXCZUQKS-UHFFFAOYSA-N
MW455.52 g/mol
LogP5.70
Rot. Bonds7

About [3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol

[3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol (PubChem CID 24784708) has the molecular formula C27H28F3NO2 and a molecular weight of 455.52 g/mol. Its IUPAC name is [3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol
PubChem CID24784708
Molecular FormulaC27H28F3NO2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name[3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol
SMILESOCc1cccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C27H28F3NO2/c28-27(29,30)25-15-21(14-23(16-25)22-6-4-5-20(13-22)17-32)18-33-19-26(9-11-31-12-10-26)24-7-2-1-3-8-24/h1-8,13-16,31-32H,9-12,17-19H2
InChIKeyQTKUERJXCZUQKS-UHFFFAOYSA-N
XLogP5.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol 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

4-[[3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 58993611
4-[[3-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24783931
4-[[3-(3,5-dibromophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24784705
4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785977
4-[[3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 143563810
4-[[3-[4-(4-methylsulfanylphenyl)phenyl]-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24783165
(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane
CID 11654898
2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 58993510
3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline
CID 143563799
4-[[3-(4-methoxy-2,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24784706
3-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785975
4-methyl-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24782653

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol?
The IUPAC name of [3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol (CID 24784708) is [3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol.
What is the SMILES notation for [3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol?
The canonical SMILES for [3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol is OCc1cccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of [3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol?
The InChIKey is QTKUERJXCZUQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NO2/c28-27(29,30)25-15-21(14-23(16-25)22-6-4-5-20(13-22)17-32)18-33-19-26(9-11-31-12-10-26)24-7-2-1-3-8-24/h1-8,13-16,31-32H,9-12,17-19H2.
What are the key properties of [3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol?
[3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol has a molecular weight of 455.52 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]phenyl]methanol is sourced from PubChem (CID 24784708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).