1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine

C15H30N2 — CID 107897969

IUPAC1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine
SMILESC/C=C/CN1CC(C(C)(C)C)NCC1(C)CC
InChIInChI=1S/C15H30N2/c1-7-9-10-17-11-13(14(3,4)5)16-12-15(17,6)8-2/h7,9,13,16H,8,10-12H2,1-6H3/b9-7+
InChIKeyHDQNLXLEOPYSPQ-VQHVLOKHSA-N
MW238.42 g/mol
LogP3.05
Rot. Bonds3

About 1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine

1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine (PubChem CID 107897969) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine
PubChem CID107897969
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine
SMILESC/C=C/CN1CC(C(C)(C)C)NCC1(C)CC
InChIInChI=1S/C15H30N2/c1-7-9-10-17-11-13(14(3,4)5)16-12-15(17,6)8-2/h7,9,13,16H,8,10-12H2,1-6H3/b9-7+
InChIKeyHDQNLXLEOPYSPQ-VQHVLOKHSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.05
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

5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine
CID 82924884
5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
CID 65460670
5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64842828
5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64842641
5-tert-butyl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64842838
1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine
CID 79445824
5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine
CID 64843213
1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 107898082
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 107901484
3-tert-butyl-1-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
CID 107901579
5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
CID 64842629
5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine
CID 64843204

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine (CID 107897969) is 1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine is C/C=C/CN1CC(C(C)(C)C)NCC1(C)CC.
What is the InChIKey of 1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine?
The InChIKey is HDQNLXLEOPYSPQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H30N2/c1-7-9-10-17-11-13(14(3,4)5)16-12-15(17,6)8-2/h7,9,13,16H,8,10-12H2,1-6H3/b9-7+.
What are the key properties of 1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine?
1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine has a molecular weight of 238.42 g/mol, XLogP of 3.05, 3 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-tert-butyl-2-ethyl-2-methylpiperazine is sourced from PubChem (CID 107897969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).