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

C14H23N3O2 — CID 136772449

IUPAC4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(C(C)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9(2)14-15-12(8-13(19)16-14)17-6-4-11(5-7-17)10(3)18/h8-11,18H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyKWQIQZKYDXHICB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.49
Rot. Bonds3

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

4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136772449) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136772449
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(C(C)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9(2)14-15-12(8-13(19)16-14)17-6-4-11(5-7-17)10(3)18/h8-11,18H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyKWQIQZKYDXHICB-UHFFFAOYSA-N
XLogP1.49
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
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
2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702382
4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702385
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136772449) is 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCC(C(C)O)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KWQIQZKYDXHICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)14-15-12(8-13(19)16-14)17-6-4-11(5-7-17)10(3)18/h8-11,18H,4-7H2,1-3H3,(H,15,16,19).
What are the key properties of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[4-(1-hydroxyethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.49, 3 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136772449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).