1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine

C23H26F3N3O — CID 10295451

IUPAC1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine
SMILESFC(F)(F)C1CN(c2ccccc2)C(OCC2CCN(Cc3ccccc3)CC2)=N1
InChIInChI=1S/C23H26F3N3O/c24-23(25,26)21-16-29(20-9-5-2-6-10-20)22(27-21)30-17-19-11-13-28(14-12-19)15-18-7-3-1-4-8-18/h1-10,19,21H,11-17H2
InChIKeyDOOQJYPJIPEESW-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.72
Rot. Bonds5

About 1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine

1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine (PubChem CID 10295451) has the molecular formula C23H26F3N3O and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine
PubChem CID10295451
Molecular FormulaC23H26F3N3O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine
SMILESFC(F)(F)C1CN(c2ccccc2)C(OCC2CCN(Cc3ccccc3)CC2)=N1
InChIInChI=1S/C23H26F3N3O/c24-23(25,26)21-16-29(20-9-5-2-6-10-20)22(27-21)30-17-19-11-13-28(14-12-19)15-18-7-3-1-4-8-18/h1-10,19,21H,11-17H2
InChIKeyDOOQJYPJIPEESW-UHFFFAOYSA-N
XLogP4.72
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine
CID 10294963
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine
CID 131985348
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
5-[(3R,5S)-4-[2-(1-benzylpiperidin-4-yl)ethyl]-3,5-dimethylpiperazin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 150574280
1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine
CID 70077270
1-benzyl-3-ethylpyrrolidine
CID 12648208
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine
CID 70079103
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine?
The IUPAC name of 1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine (CID 10295451) is 1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine.
What is the SMILES notation for 1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine?
The canonical SMILES for 1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine is FC(F)(F)C1CN(c2ccccc2)C(OCC2CCN(Cc3ccccc3)CC2)=N1.
What is the InChIKey of 1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine?
The InChIKey is DOOQJYPJIPEESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O/c24-23(25,26)21-16-29(20-9-5-2-6-10-20)22(27-21)30-17-19-11-13-28(14-12-19)15-18-7-3-1-4-8-18/h1-10,19,21H,11-17H2.
What are the key properties of 1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine?
1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine has a molecular weight of 417.48 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine is sourced from PubChem (CID 10295451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).