[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol

C13H21N3O — CID 83185063

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N2CC(C)CC(C)C2)ncc1CO
InChIInChI=1S/C13H21N3O/c1-9-4-10(2)7-16(6-9)13-14-5-12(8-17)11(3)15-13/h5,9-10,17H,4,6-8H2,1-3H3
InChIKeyHAQJGBQUUYAQDB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.76
Rot. Bonds2

About [2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol

[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol (PubChem CID 83185063) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
PubChem CID83185063
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N2CC(C)CC(C)C2)ncc1CO
InChIInChI=1S/C13H21N3O/c1-9-4-10(2)7-16(6-9)13-14-5-12(8-17)11(3)15-13/h5,9-10,17H,4,6-8H2,1-3H3
InChIKeyHAQJGBQUUYAQDB-UHFFFAOYSA-N
XLogP1.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol (CID 83185063) is [2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol is Cc1nc(N2CC(C)CC(C)C2)ncc1CO.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is HAQJGBQUUYAQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-4-10(2)7-16(6-9)13-14-5-12(8-17)11(3)15-13/h5,9-10,17H,4,6-8H2,1-3H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol?
[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83185063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).