1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol

C12H19N3O2 — CID 86797858

IUPAC1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCCOc1cc(N2CCC(C)C(O)C2)ncn1
InChIInChI=1S/C12H19N3O2/c1-3-17-12-6-11(13-8-14-12)15-5-4-9(2)10(16)7-15/h6,8-10,16H,3-5,7H2,1-2H3
InChIKeyJFNFXMREXXRLTK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds3

About 1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol

1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol (PubChem CID 86797858) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
PubChem CID86797858
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCCOc1cc(N2CCC(C)C(O)C2)ncn1
InChIInChI=1S/C12H19N3O2/c1-3-17-12-6-11(13-8-14-12)15-5-4-9(2)10(16)7-15/h6,8-10,16H,3-5,7H2,1-2H3
InChIKeyJFNFXMREXXRLTK-UHFFFAOYSA-N
XLogP1.08
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol (CID 86797858) is 1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol is CCOc1cc(N2CCC(C)C(O)C2)ncn1.
What is the InChIKey of 1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol?
The InChIKey is JFNFXMREXXRLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-12-6-11(13-8-14-12)15-5-4-9(2)10(16)7-15/h6,8-10,16H,3-5,7H2,1-2H3.
What are the key properties of 1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol?
1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol has a molecular weight of 237.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 86797858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).