[1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

C20H24F3N3O — CID 56758079

IUPAC[1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCc1ncnc(N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)c1C
InChIInChI=1S/C20H24F3N3O/c1-14-15(2)24-13-25-18(14)26-9-7-19(12-27,8-10-26)11-16-5-3-4-6-17(16)20(21,22)23/h3-6,13,27H,7-12H2,1-2H3
InChIKeyURRAZRDKEREDAI-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.93
Rot. Bonds4

About [1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

[1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 56758079) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is [1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID56758079
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name[1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCc1ncnc(N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)c1C
InChIInChI=1S/C20H24F3N3O/c1-14-15(2)24-13-25-18(14)26-9-7-19(12-27,8-10-26)11-16-5-3-4-6-17(16)20(21,22)23/h3-6,13,27H,7-12H2,1-2H3
InChIKeyURRAZRDKEREDAI-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-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

[1-{[2-(2-Methylphenyl)pyrimidin-5-yl]methyl}-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16189183
2-{4-(Hydroxymethyl)-4-[2-(trifluoromethyl)benzyl]piperidin-1-yl}nicotinonitrile
CID 56742482
{3-(2-Fluorobenzyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl}methanol
CID 56748960
{1-(6-Methoxypyrimidin-4-yl)-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 56759190
cis-3-{2-Amino-6-[4-(4-fluorobenzyl)piperidin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91766252
[1-(2-Amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 56752140
[1-(5-Isopropylpyrimidin-4-yl)-3-(2-methylbenzyl)piperidin-3-yl]methanol
CID 56739359
[1-[(2-Methylsulfanylpyrimidin-5-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
CID 29180889
{1-{[2-(2-Methylphenyl)-5-pyrimidinyl]methyl}-4-[3-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 42527769
{1-(2,5-Dimethylpyrimidin-4-yl)-4-[3-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 56738896
[4-(3-Fluorobenzyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanol
CID 56749379
[1-(5,6-Dimethylpyrimidin-4-yl)-3-(4-fluorobenzyl)piperidin-3-yl]methanol
CID 56753690

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 56758079) is [1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is Cc1ncnc(N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)c1C.
What is the InChIKey of [1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is URRAZRDKEREDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-14-15(2)24-13-25-18(14)26-9-7-19(12-27,8-10-26)11-16-5-3-4-6-17(16)20(21,22)23/h3-6,13,27H,7-12H2,1-2H3.
What are the key properties of [1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(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-(5,6-dimethylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 56758079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).