1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine

C13H26N2 — CID 107897901

IUPAC1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine
SMILESC/C=C/CN1CC(CCC)NCC1CC
InChIInChI=1S/C13H26N2/c1-4-7-9-15-11-12(8-5-2)14-10-13(15)6-3/h4,7,12-14H,5-6,8-11H2,1-3H3/b7-4+
InChIKeyROSPSWJHKIYUQF-QPJJXVBHSA-N
MW210.37 g/mol
LogP2.41
Rot. Bonds5

About 1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine

1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine (PubChem CID 107897901) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine
PubChem CID107897901
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine
SMILESC/C=C/CN1CC(CCC)NCC1CC
InChIInChI=1S/C13H26N2/c1-4-7-9-15-11-12(8-5-2)14-10-13(15)6-3/h4,7,12-14H,5-6,8-11H2,1-3H3/b7-4+
InChIKeyROSPSWJHKIYUQF-QPJJXVBHSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
CID 107901441
1-[(E)-but-2-enyl]-2-ethyl-5-methylpiperazine
CID 107897884
1-[(E)-but-2-enyl]-2-cyclopropyl-5-propylpiperazine
CID 107897904
1-(cyclobutylmethyl)-2-ethyl-5-propylpiperazine
CID 64936155
1-(cyclopentylmethyl)-2-ethyl-5-propylpiperazine
CID 64845195
2-ethyl-1-methyl-5-propylpiperazine
CID 64846947
2-ethyl-5-propyl-1-(2,3,3-trimethylbutyl)piperazine
CID 83146417
1-(2-ethoxyethyl)-2-ethyl-5-propylpiperazine
CID 64846765
2-ethyl-1-(2-ethylhexyl)-5-propylpiperazine
CID 64846777
2-ethyl-1-(3-ethylpentan-3-yl)-5-propylpiperazine
CID 65043639
1-(2-cyclohexyloxyethyl)-2-ethyl-5-propylpiperazine
CID 64942384
2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64845197

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine (CID 107897901) is 1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine is C/C=C/CN1CC(CCC)NCC1CC.
What is the InChIKey of 1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine?
The InChIKey is ROSPSWJHKIYUQF-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-7-9-15-11-12(8-5-2)14-10-13(15)6-3/h4,7,12-14H,5-6,8-11H2,1-3H3/b7-4+.
What are the key properties of 1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine?
1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine has a molecular weight of 210.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-2-ethyl-5-propylpiperazine is sourced from PubChem (CID 107897901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).