3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one

C13H21N3O2 — CID 55155277

IUPAC3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCCCC2CO)c1=O
InChIInChI=1S/C13H21N3O2/c1-10(2)15-8-6-14-12(13(15)18)16-7-4-3-5-11(16)9-17/h6,8,10-11,17H,3-5,7,9H2,1-2H3
InChIKeyPLVVTJZCJZXUMZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.18
Rot. Bonds3

About 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one

3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one (PubChem CID 55155277) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
PubChem CID55155277
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCCCC2CO)c1=O
InChIInChI=1S/C13H21N3O2/c1-10(2)15-8-6-14-12(13(15)18)16-7-4-3-5-11(16)9-17/h6,8,10-11,17H,3-5,7,9H2,1-2H3
InChIKeyPLVVTJZCJZXUMZ-UHFFFAOYSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 55133115
CID 55133115
CID 55135977
CID 55135977
CID 55154891
CID 55154891
CID 55154892
CID 55154892
CID 55155084
CID 55155084
CID 55155278
CID 55155278
CID 55155467
CID 55155467
CID 55155651
CID 55155651
CID 55155657
CID 55155657
CID 55155850
CID 55155850
CID 55156237
CID 55156237
CID 55156427
CID 55156427

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one (CID 55155277) is 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(N2CCCCC2CO)c1=O.
What is the InChIKey of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The InChIKey is PLVVTJZCJZXUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)15-8-6-14-12(13(15)18)16-7-4-3-5-11(16)9-17/h6,8,10-11,17H,3-5,7,9H2,1-2H3.
What are the key properties of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55155277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).