[1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

C19H22F3N3O — CID 56760056

IUPAC[1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCc1nccc(N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C19H22F3N3O/c1-14-23-9-6-17(24-14)25-10-7-18(13-26,8-11-25)12-15-4-2-3-5-16(15)19(20,21)22/h2-6,9,26H,7-8,10-13H2,1H3
InChIKeyLFPNAHFHTCCYLU-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.63
Rot. Bonds4

About [1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

[1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 56760056) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is [1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID56760056
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name[1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCc1nccc(N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C19H22F3N3O/c1-14-23-9-6-17(24-14)25-10-7-18(13-26,8-11-25)12-15-4-2-3-5-16(15)19(20,21)22/h2-6,9,26H,7-8,10-13H2,1H3
InChIKeyLFPNAHFHTCCYLU-UHFFFAOYSA-N
XLogP3.63
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 56760056) is [1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is Cc1nccc(N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)n1.
What is the InChIKey of [1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is LFPNAHFHTCCYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-14-23-9-6-17(24-14)25-10-7-18(13-26,8-11-25)12-15-4-2-3-5-16(15)19(20,21)22/h2-6,9,26H,7-8,10-13H2,1H3.
What are the key properties of [1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 365.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 56760056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).