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

C12H19N3O2 — CID 62927635

IUPAC1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCCCC2CO)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-14-8-6-13-11(12(14)17)15-7-4-3-5-10(15)9-16/h6,8,10,16H,2-5,7,9H2,1H3
InChIKeyDJMFKTKBQLVPFZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.61
Rot. Bonds3

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

1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one (PubChem CID 62927635) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one
PubChem CID62927635
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCCCC2CO)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-14-8-6-13-11(12(14)17)15-7-4-3-5-10(15)9-16/h6,8,10,16H,2-5,7,9H2,1H3
InChIKeyDJMFKTKBQLVPFZ-UHFFFAOYSA-N
XLogP0.61
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one (CID 62927635) is 1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one is CCn1ccnc(N2CCCCC2CO)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one?
The InChIKey is DJMFKTKBQLVPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-14-8-6-13-11(12(14)17)15-7-4-3-5-10(15)9-16/h6,8,10,16H,2-5,7,9H2,1H3.
What are the key properties of 1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one?
1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(hydroxymethyl)piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 62927635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).