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

C10H15N3O2 — CID 136957335

IUPAC4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC(CO)C2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-6-8-2-1-3-13(5-8)9-4-10(15)12-7-11-9/h4,7-8,14H,1-3,5-6H2,(H,11,12,15)
InChIKeyLLPGNXIHYIZXDE-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.02
Rot. Bonds2

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

4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957335) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957335
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC(CO)C2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-6-8-2-1-3-13(5-8)9-4-10(15)12-7-11-9/h4,7-8,14H,1-3,5-6H2,(H,11,12,15)
InChIKeyLLPGNXIHYIZXDE-UHFFFAOYSA-N
XLogP-0.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.02
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-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586408
2-Amino-6-[3-(hydroxymethyl)piperidin-1-YL]pyrimidin-4(3H)-one
CID 136121124
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-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749166
4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759219
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323
4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772451
4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821999
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857363
4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136901128

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136957335) is 4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCCC(CO)C2)nc[nH]1.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is LLPGNXIHYIZXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-6-8-2-1-3-13(5-8)9-4-10(15)12-7-11-9/h4,7-8,14H,1-3,5-6H2,(H,11,12,15).
What are the key properties of 4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).