4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 136772454

IUPAC4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C(C)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(16)10-3-5-15(6-4-10)11-7-12(17)14-9(2)13-11/h7-8,10,16H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyUIIDTWFOPNNCEC-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.68
Rot. Bonds2

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

4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136772454) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136772454
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C(C)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(16)10-3-5-15(6-4-10)11-7-12(17)14-9(2)13-11/h7-8,10,16H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyUIIDTWFOPNNCEC-UHFFFAOYSA-N
XLogP0.68
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 156471629
4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136569055
2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702377
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702379
4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136702380
4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702385
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
2-ethyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703839
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136749163
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136772454) is 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCC(C(C)O)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UIIDTWFOPNNCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(16)10-3-5-15(6-4-10)11-7-12(17)14-9(2)13-11/h7-8,10,16H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136772454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).