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

C14H28N2 — CID 107898018

IUPAC1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
SMILESC/C=C/CN1CC(C)(CC)NCC1CCC
InChIInChI=1S/C14H28N2/c1-5-8-10-16-12-14(4,7-3)15-11-13(16)9-6-2/h5,8,13,15H,6-7,9-12H2,1-4H3/b8-5+
InChIKeyZTLQTNYVYAMLGE-VMPITWQZSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds5

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

1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine (PubChem CID 107898018) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
PubChem CID107898018
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
SMILESC/C=C/CN1CC(C)(CC)NCC1CCC
InChIInChI=1S/C14H28N2/c1-5-8-10-16-12-14(4,7-3)15-11-13(16)9-6-2/h5,8,13,15H,6-7,9-12H2,1-4H3/b8-5+
InChIKeyZTLQTNYVYAMLGE-VMPITWQZSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-chloroprop-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 107901666
1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 114013955
1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine
CID 106733118
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055835
5-ethyl-5-methyl-1-(3-phenylpropyl)-2-propylpiperazine
CID 64849061
1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64850024
5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-2-propylpiperazine
CID 114349594
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64849255
1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 107898076
5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 82924886
2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine
CID 64933219

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine (CID 107898018) is 1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine is C/C=C/CN1CC(C)(CC)NCC1CCC.
What is the InChIKey of 1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine?
The InChIKey is ZTLQTNYVYAMLGE-VMPITWQZSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-8-10-16-12-14(4,7-3)15-11-13(16)9-6-2/h5,8,13,15H,6-7,9-12H2,1-4H3/b8-5+.
What are the key properties of 1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine?
1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 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]-5-ethyl-5-methyl-2-propylpiperazine is sourced from PubChem (CID 107898018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).