[2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol

C14H23N3O — CID 83184547

IUPAC[2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCCC1(C)CCN(c2ncc(CO)c(C)n2)CC1
InChIInChI=1S/C14H23N3O/c1-4-14(3)5-7-17(8-6-14)13-15-9-12(10-18)11(2)16-13/h9,18H,4-8,10H2,1-3H3
InChIKeyDOELBSNZPTVMTD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.29
Rot. Bonds3

About [2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol

[2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol (PubChem CID 83184547) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
PubChem CID83184547
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCCC1(C)CCN(c2ncc(CO)c(C)n2)CC1
InChIInChI=1S/C14H23N3O/c1-4-14(3)5-7-17(8-6-14)13-15-9-12(10-18)11(2)16-13/h9,18H,4-8,10H2,1-3H3
InChIKeyDOELBSNZPTVMTD-UHFFFAOYSA-N
XLogP2.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol (CID 83184547) is [2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol is CCC1(C)CCN(c2ncc(CO)c(C)n2)CC1.
What is the InChIKey of [2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is DOELBSNZPTVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-14(3)5-7-17(8-6-14)13-15-9-12(10-18)11(2)16-13/h9,18H,4-8,10H2,1-3H3.
What are the key properties of [2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol?
[2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83184547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).