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

C11H17N3O2 — CID 136979651

IUPAC4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC(CCO)C2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-5-3-9-2-1-4-14(7-9)10-6-11(16)13-8-12-10/h6,8-9,15H,1-5,7H2,(H,12,13,16)
InChIKeyAWHHJQSCZNOIME-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.37
Rot. Bonds3

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

4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979651) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979651
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC(CCO)C2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-5-3-9-2-1-4-14(7-9)10-6-11(16)13-8-12-10/h6,8-9,15H,1-5,7H2,(H,12,13,16)
InChIKeyAWHHJQSCZNOIME-UHFFFAOYSA-N
XLogP0.37
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586435
2-Amino-6-[3-(hydroxymethyl)piperidin-1-YL]pyrimidin-4(3H)-one
CID 136121124
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704099
4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704101
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733832
2-amino-4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733833
4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746839
4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749166
4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772451
4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823132

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136979651) is 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCCC(CCO)C2)nc[nH]1.
What is the InChIKey of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is AWHHJQSCZNOIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-5-3-9-2-1-4-14(7-9)10-6-11(16)13-8-12-10/h6,8-9,15H,1-5,7H2,(H,12,13,16).
What are the key properties of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).