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

C11H17N3O2 — CID 136772451

IUPAC4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(O)C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O2/c1-8(15)9-2-4-14(5-3-9)10-6-11(16)13-7-12-10/h6-9,15H,2-5H2,1H3,(H,12,13,16)
InChIKeyXNQPJSRGAXIIHA-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.37
Rot. Bonds2

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

4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136772451) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136772451
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(O)C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O2/c1-8(15)9-2-4-14(5-3-9)10-6-11(16)13-7-12-10/h6-9,15H,2-5H2,1H3,(H,12,13,16)
InChIKeyXNQPJSRGAXIIHA-UHFFFAOYSA-N
XLogP0.37
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

6-(4-Hydroxypiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957342
4-[3-[(3S)-3-hydroxypiperidin-1-yl]propylamino]-1H-pyrimidin-6-one
CID 171359109
4-[4-hydroxybutyl(propyl)amino]-1H-pyrimidin-6-one
CID 135412672
4-[ethyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135453823
4-[butyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135492319
4-Hydroxy-6-(3-hydroxypiperidin-1-yl)pyrimidine
CID 136276594
4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702378
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704101
5-bromo-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749161
5-amino-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749162
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]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136772451) is 4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is CC(O)C1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is XNQPJSRGAXIIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(15)9-2-4-14(5-3-9)10-6-11(16)13-7-12-10/h6-9,15H,2-5H2,1H3,(H,12,13,16).
What are the key properties of 4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.37, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136772451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).