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

C10H15N3O2 — CID 136957338

IUPAC4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(CO)CC2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-6-8-1-3-13(4-2-8)9-5-10(15)12-7-11-9/h5,7-8,14H,1-4,6H2,(H,11,12,15)
InChIKeyVERUSCLTQKZFIQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.02
Rot. Bonds2

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

4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957338) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957338
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(CO)CC2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-6-8-1-3-13(4-2-8)9-5-10(15)12-7-11-9/h5,7-8,14H,1-4,6H2,(H,11,12,15)
InChIKeyVERUSCLTQKZFIQ-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136957338) is 4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCC(CO)CC2)nc[nH]1.
What is the InChIKey of 4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is VERUSCLTQKZFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-6-8-1-3-13(4-2-8)9-5-10(15)12-7-11-9/h5,7-8,14H,1-4,6H2,(H,11,12,15).
What are the key properties of 4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
4-[4-(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-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).