[1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

C19H22F3N3O2 — CID 56759190

IUPAC[1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCOc1cc(N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)ncn1
InChIInChI=1S/C19H22F3N3O2/c1-27-17-10-16(23-13-24-17)25-8-6-18(12-26,7-9-25)11-14-4-2-3-5-15(14)19(20,21)22/h2-5,10,13,26H,6-9,11-12H2,1H3
InChIKeyBURNSFBQKKMWGF-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.33
Rot. Bonds5

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

[1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 56759190) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is [1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID56759190
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name[1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCOc1cc(N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)ncn1
InChIInChI=1S/C19H22F3N3O2/c1-27-17-10-16(23-13-24-17)25-8-6-18(12-26,7-9-25)11-14-4-2-3-5-15(14)19(20,21)22/h2-5,10,13,26H,6-9,11-12H2,1H3
InChIKeyBURNSFBQKKMWGF-UHFFFAOYSA-N
XLogP3.33
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 56759190) is [1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is COc1cc(N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)ncn1.
What is the InChIKey of [1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is BURNSFBQKKMWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-27-17-10-16(23-13-24-17)25-8-6-18(12-26,7-9-25)11-14-4-2-3-5-15(14)19(20,21)22/h2-5,10,13,26H,6-9,11-12H2,1H3.
What are the key properties of [1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 381.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxypyrimidin-4-yl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 56759190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).