1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone

C13H20N4O2 — CID 95840915

IUPAC1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCN(C)c1cncc(C2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-16(2)12-8-14-7-11(15-12)10-3-5-17(6-4-10)13(19)9-18/h7-8,10,18H,3-6,9H2,1-2H3
InChIKeyGXQKEBDHJAYYTC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.24
Rot. Bonds3

About 1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone

1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 95840915) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone
PubChem CID95840915
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCN(C)c1cncc(C2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-16(2)12-8-14-7-11(15-12)10-3-5-17(6-4-10)13(19)9-18/h7-8,10,18H,3-6,9H2,1-2H3
InChIKeyGXQKEBDHJAYYTC-UHFFFAOYSA-N
XLogP0.24
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone (CID 95840915) is 1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone is CN(C)c1cncc(C2CCN(C(=O)CO)CC2)n1.
What is the InChIKey of 1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is GXQKEBDHJAYYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16(2)12-8-14-7-11(15-12)10-3-5-17(6-4-10)13(19)9-18/h7-8,10,18H,3-6,9H2,1-2H3.
What are the key properties of 1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone?
1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 264.33 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 95840915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).