4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one

C9H13N3O2 — CID 136811796

IUPAC4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC[C@H](O)C2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-7-2-1-3-12(5-7)8-4-9(14)11-6-10-8/h4,6-7,13H,1-3,5H2,(H,10,11,14)/t7-/m0/s1
InChIKeySTVCDGIWQUSWFD-ZETCQYMHSA-N
MW195.22 g/mol
LogP-0.27
Rot. Bonds1

About 4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one

4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136811796) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136811796
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC[C@H](O)C2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-7-2-1-3-12(5-7)8-4-9(14)11-6-10-8/h4,6-7,13H,1-3,5H2,(H,10,11,14)/t7-/m0/s1
InChIKeySTVCDGIWQUSWFD-ZETCQYMHSA-N
XLogP-0.27
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.27
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-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702384
4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749166
4-(3-hydroxy-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136749167
4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772451
2-amino-6-(4-hydroxypiperidin-1-yl)pyrimidin-4(3H)-one
CID 136776209

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one (CID 136811796) is 4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCC[C@H](O)C2)nc[nH]1.
What is the InChIKey of 4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is STVCDGIWQUSWFD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-7-2-1-3-12(5-7)8-4-9(14)11-6-10-8/h4,6-7,13H,1-3,5H2,(H,10,11,14)/t7-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136811796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).