1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol

C12H19N3O2 — CID 126848386

IUPAC1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCCOCc1cc(N2CCC(O)CC2)ncn1
InChIInChI=1S/C12H19N3O2/c1-2-17-8-10-7-12(14-9-13-10)15-5-3-11(16)4-6-15/h7,9,11,16H,2-6,8H2,1H3
InChIKeyVDJDBEYNAHSXMD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.97
Rot. Bonds4

About 1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol

1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 126848386) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID126848386
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCCOCc1cc(N2CCC(O)CC2)ncn1
InChIInChI=1S/C12H19N3O2/c1-2-17-8-10-7-12(14-9-13-10)15-5-3-11(16)4-6-15/h7,9,11,16H,2-6,8H2,1H3
InChIKeyVDJDBEYNAHSXMD-UHFFFAOYSA-N
XLogP0.97
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol (CID 126848386) is 1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol is CCOCc1cc(N2CCC(O)CC2)ncn1.
What is the InChIKey of 1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is VDJDBEYNAHSXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-8-10-7-12(14-9-13-10)15-5-3-11(16)4-6-15/h7,9,11,16H,2-6,8H2,1H3.
What are the key properties of 1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol?
1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 237.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 126848386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).