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

C13H21N3O2 — CID 62927802

IUPAC3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCCCC2CO)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-7-15-9-6-14-12(13(15)18)16-8-4-3-5-11(16)10-17/h6,9,11,17H,2-5,7-8,10H2,1H3
InChIKeySOYVKWBOLKBADZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.00
Rot. Bonds4

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

3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one (PubChem CID 62927802) 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-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one
PubChem CID62927802
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCCCC2CO)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-7-15-9-6-14-12(13(15)18)16-8-4-3-5-11(16)10-17/h6,9,11,17H,2-5,7-8,10H2,1H3
InChIKeySOYVKWBOLKBADZ-UHFFFAOYSA-N
XLogP1.00
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one (CID 62927802) is 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one is CCCn1ccnc(N2CCCCC2CO)c1=O.
What is the InChIKey of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one?
The InChIKey is SOYVKWBOLKBADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-7-15-9-6-14-12(13(15)18)16-8-4-3-5-11(16)10-17/h6,9,11,17H,2-5,7-8,10H2,1H3.
What are the key properties of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one?
3-[2-(hydroxymethyl)piperidin-1-yl]-1-propylpyrazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.00, 4 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-propylpyrazin-2-one is sourced from PubChem (CID 62927802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).