[1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol

C19H24FN3O — CID 56753690

IUPAC[1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ncnc(N2CCCC(CO)(Cc3ccc(F)cc3)C2)c1C
InChIInChI=1S/C19H24FN3O/c1-14-15(2)21-13-22-18(14)23-9-3-8-19(11-23,12-24)10-16-4-6-17(20)7-5-16/h4-7,13,24H,3,8-12H2,1-2H3
InChIKeyQGVPIJZCYNOLJJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.05
Rot. Bonds4

About [1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol

[1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 56753690) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is [1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID56753690
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name[1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ncnc(N2CCCC(CO)(Cc3ccc(F)cc3)C2)c1C
InChIInChI=1S/C19H24FN3O/c1-14-15(2)21-13-22-18(14)23-9-3-8-19(11-23,12-24)10-16-4-6-17(20)7-5-16/h4-7,13,24H,3,8-12H2,1-2H3
InChIKeyQGVPIJZCYNOLJJ-UHFFFAOYSA-N
XLogP3.05
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Amino-4-pyrimidinyl)-3-(3-phenylpropyl)-3-piperidinemethanol
CID 56750508
4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL
CID 72851395
{3-(2-Fluorobenzyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl}methanol
CID 56748960
{1-(5,6-Dimethylpyrimidin-4-yl)-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 56758079
cis-3-{2-Amino-6-[4-(4-fluorobenzyl)piperidin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91766252
4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL
CID 72879432
[1-(2-Amino-6-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 56752140
[1-(2-Aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 56755545
[1-(2,6-Diaminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 56759545
[1-(2,6-Diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 56738717
[1-(5-Isopropylpyrimidin-4-yl)-3-(2-methylbenzyl)piperidin-3-yl]methanol
CID 56739359
2-[3-(2,4-Difluorobenzyl)-3-(hydroxymethyl)piperidin-1-yl]nicotinonitrile
CID 56740556

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol (CID 56753690) is [1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol is Cc1ncnc(N2CCCC(CO)(Cc3ccc(F)cc3)C2)c1C.
What is the InChIKey of [1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is QGVPIJZCYNOLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-14-15(2)21-13-22-18(14)23-9-3-8-19(11-23,12-24)10-16-4-6-17(20)7-5-16/h4-7,13,24H,3,8-12H2,1-2H3.
What are the key properties of [1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
[1-(5,6-dimethylpyrimidin-4-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 329.42 g/mol, XLogP of 3.05, 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)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 56753690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).