4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C10H15N3O2 — CID 136987918

IUPAC4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]cn2)CCC1O
InChIInChI=1S/C10H15N3O2/c1-7-5-13(3-2-8(7)14)9-4-10(15)12-6-11-9/h4,6-8,14H,2-3,5H2,1H3,(H,11,12,15)
InChIKeyPMLSIKUEZSEOGA-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.02
Rot. Bonds1

About 4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136987918) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136987918
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]cn2)CCC1O
InChIInChI=1S/C10H15N3O2/c1-7-5-13(3-2-8(7)14)9-4-10(15)12-6-11-9/h4,6-8,14H,2-3,5H2,1H3,(H,11,12,15)
InChIKeyPMLSIKUEZSEOGA-UHFFFAOYSA-N
XLogP-0.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136987918) is 4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CN(c2cc(=O)[nH]cn2)CCC1O.
What is the InChIKey of 4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is PMLSIKUEZSEOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-5-13(3-2-8(7)14)9-4-10(15)12-6-11-9/h4,6-8,14H,2-3,5H2,1H3,(H,11,12,15).
What are the key properties of 4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136987918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).