[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol

C11H17N3O — CID 28905138

IUPAC[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol
SMILESCC1CCN(c2ncncc2CO)CC1
InChIInChI=1S/C11H17N3O/c1-9-2-4-14(5-3-9)11-10(7-15)6-12-8-13-11/h6,8-9,15H,2-5,7H2,1H3
InChIKeySKKGDUYBTKXASM-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.21
Rot. Bonds2

About [4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol

[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol (PubChem CID 28905138) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol
PubChem CID28905138
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol
SMILESCC1CCN(c2ncncc2CO)CC1
InChIInChI=1S/C11H17N3O/c1-9-2-4-14(5-3-9)11-10(7-15)6-12-8-13-11/h6,8-9,15H,2-5,7H2,1H3
InChIKeySKKGDUYBTKXASM-UHFFFAOYSA-N
XLogP1.21
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol (CID 28905138) is [4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol is CC1CCN(c2ncncc2CO)CC1.
What is the InChIKey of [4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol?
The InChIKey is SKKGDUYBTKXASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-2-4-14(5-3-9)11-10(7-15)6-12-8-13-11/h6,8-9,15H,2-5,7H2,1H3.
What are the key properties of [4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol?
[4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol has a molecular weight of 207.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 28905138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).