4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

C12H19N3O3 — CID 136989587

IUPAC4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(CCO)C2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-18-10-11(13-8-14-12(10)17)15-5-2-3-9(7-15)4-6-16/h8-9,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyWYIJEMJEWZYLSL-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.38
Rot. Bonds4

About 4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136989587) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136989587
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(CCO)C2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-18-10-11(13-8-14-12(10)17)15-5-2-3-9(7-15)4-6-16/h8-9,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyWYIJEMJEWZYLSL-UHFFFAOYSA-N
XLogP0.38
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136989587) is 4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCCC(CCO)C2)nc[nH]c1=O.
What is the InChIKey of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WYIJEMJEWZYLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-18-10-11(13-8-14-12(10)17)15-5-2-3-9(7-15)4-6-16/h8-9,16H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136989587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).