[1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

C20H24F3N3O — CID 56738896

IUPAC[1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCc1ncc(C)c(N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C20H24F3N3O/c1-14-12-24-15(2)25-18(14)26-8-6-19(13-27,7-9-26)11-16-4-3-5-17(10-16)20(21,22)23/h3-5,10,12,27H,6-9,11,13H2,1-2H3
InChIKeyRVQDCBYAVGBFSR-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.93
Rot. Bonds4

About [1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

[1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 56738896) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is [1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID56738896
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name[1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCc1ncc(C)c(N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C20H24F3N3O/c1-14-12-24-15(2)25-18(14)26-8-6-19(13-27,7-9-26)11-16-4-3-5-17(10-16)20(21,22)23/h3-5,10,12,27H,6-9,11,13H2,1-2H3
InChIKeyRVQDCBYAVGBFSR-UHFFFAOYSA-N
XLogP3.93
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

Bmy-14802
CID 108046
2-{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}ethanol
CID 11160875
{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}methanol
CID 77620524
1-(2-Amino-4-pyrimidinyl)-3-(3-phenylpropyl)-3-piperidinemethanol
CID 56750508
(R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 6604868
2-(1-Isobutyl-4-{[2-(3-methylphenyl)-5-pyrimidinyl]methyl}-2-piperazinyl)ethanol
CID 16188423
2-(1-Cyclopentyl-4-{[2-(3-methylphenyl)-5-pyrimidinyl]methyl}-2-piperazinyl)ethanol
CID 16189046
(4-Benzyl-1-{[2-(1-naphthyl)pyrimidin-5-yl]methyl}piperidin-4-yl)methanol
CID 16191120
[1-{[2-(3-Methylphenyl)pyrimidin-5-yl]methyl}-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191448
(4-Benzyl-1-{[2-(4-chlorophenyl)pyrimidin-5-yl]methyl}piperidin-4-yl)methanol
CID 16192404
2-(1-(3-Methylbutyl)-4-{[2-(3-methylphenyl)-5-pyrimidinyl]methyl}-2-piperazinyl)ethanol
CID 16187370
[1-{[2-(2-Methylphenyl)pyrimidin-5-yl]methyl}-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16189183

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 56738896) is [1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is Cc1ncc(C)c(N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of [1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is RVQDCBYAVGBFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-14-12-24-15(2)25-18(14)26-8-6-19(13-27,7-9-26)11-16-4-3-5-17(10-16)20(21,22)23/h3-5,10,12,27H,6-9,11,13H2,1-2H3.
What are the key properties of [1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 379.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylpyrimidin-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 56738896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).