5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine

C13H20N4 — CID 176768327

IUPAC5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine
SMILESCC/C=C/c1cnc(N)c(N2CCCCC2)n1
InChIInChI=1S/C13H20N4/c1-2-3-7-11-10-15-12(14)13(16-11)17-8-5-4-6-9-17/h3,7,10H,2,4-6,8-9H2,1H3,(H2,14,15)/b7-3+
InChIKeyVJKCBWMAYLFCCM-XVNBXDOJSA-N
MW232.33 g/mol
LogP2.47
Rot. Bonds3

About 5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine

5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine (PubChem CID 176768327) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine
PubChem CID176768327
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine
SMILESCC/C=C/c1cnc(N)c(N2CCCCC2)n1
InChIInChI=1S/C13H20N4/c1-2-3-7-11-10-15-12(14)13(16-11)17-8-5-4-6-9-17/h3,7,10H,2,4-6,8-9H2,1H3,(H2,14,15)/b7-3+
InChIKeyVJKCBWMAYLFCCM-XVNBXDOJSA-N
XLogP2.47
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine?
The IUPAC name of 5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine (CID 176768327) is 5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine.
What is the SMILES notation for 5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine?
The canonical SMILES for 5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine is CC/C=C/c1cnc(N)c(N2CCCCC2)n1.
What is the InChIKey of 5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine?
The InChIKey is VJKCBWMAYLFCCM-XVNBXDOJSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-3-7-11-10-15-12(14)13(16-11)17-8-5-4-6-9-17/h3,7,10H,2,4-6,8-9H2,1H3,(H2,14,15)/b7-3+.
What are the key properties of 5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine?
5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine is sourced from PubChem (CID 176768327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).