2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C14H17N3O2 — CID 123973052

IUPAC2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCCCC2CO)nc2ccccn12
InChIInChI=1S/C14H17N3O2/c18-10-11-5-1-3-7-16(11)13-9-14(19)17-8-4-2-6-12(17)15-13/h2,4,6,8-9,11,18H,1,3,5,7,10H2
InChIKeyLFJYCKTWLAKGNJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.05
Rot. Bonds2

About 2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123973052) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID123973052
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCCCC2CO)nc2ccccn12
InChIInChI=1S/C14H17N3O2/c18-10-11-5-1-3-7-16(11)13-9-14(19)17-8-4-2-6-12(17)15-13/h2,4,6,8-9,11,18H,1,3,5,7,10H2
InChIKeyLFJYCKTWLAKGNJ-UHFFFAOYSA-N
XLogP1.05
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 123973052) is 2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCCCC2CO)nc2ccccn12.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LFJYCKTWLAKGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-10-11-5-1-3-7-16(11)13-9-14(19)17-8-4-2-6-12(17)15-13/h2,4,6,8-9,11,18H,1,3,5,7,10H2.
What are the key properties of 2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123973052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).