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

C12H19N3O3 — CID 136980766

IUPAC4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C(C)O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-8(16)9-3-5-15(6-4-9)11-10(18-2)12(17)14-7-13-11/h7-9,16H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyJEFUYSAZEDJUAW-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.38
Rot. Bonds3

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

4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136980766) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136980766
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C(C)O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-8(16)9-3-5-15(6-4-9)11-10(18-2)12(17)14-7-13-11/h7-9,16H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyJEFUYSAZEDJUAW-UHFFFAOYSA-N
XLogP0.38
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136980766) is 4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCC(C(C)O)CC2)nc[nH]c1=O.
What is the InChIKey of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is JEFUYSAZEDJUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(16)9-3-5-15(6-4-9)11-10(18-2)12(17)14-7-13-11/h7-9,16H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136980766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).