1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine

C16H32N2 — CID 114013955

IUPAC1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine
SMILESC/C=C/CN1CC(CC)(CC)NCC1CC(C)C
InChIInChI=1S/C16H32N2/c1-6-9-10-18-13-16(7-2,8-3)17-12-15(18)11-14(4)5/h6,9,14-15,17H,7-8,10-13H2,1-5H3/b9-6+
InChIKeyVEJOFAUBJWVSIU-RMKNXTFCSA-N
MW252.45 g/mol
LogP3.44
Rot. Bonds6

About 1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine

1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine (PubChem CID 114013955) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine
PubChem CID114013955
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine
SMILESC/C=C/CN1CC(CC)(CC)NCC1CC(C)C
InChIInChI=1S/C16H32N2/c1-6-9-10-18-13-16(7-2,8-3)17-12-15(18)11-14(4)5/h6,9,14-15,17H,7-8,10-13H2,1-5H3/b9-6+
InChIKeyVEJOFAUBJWVSIU-RMKNXTFCSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine (CID 114013955) is 1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine is C/C=C/CN1CC(CC)(CC)NCC1CC(C)C.
What is the InChIKey of 1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine?
The InChIKey is VEJOFAUBJWVSIU-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-9-10-18-13-16(7-2,8-3)17-12-15(18)11-14(4)5/h6,9,14-15,17H,7-8,10-13H2,1-5H3/b9-6+.
What are the key properties of 1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine?
1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine has a molecular weight of 252.45 g/mol, XLogP of 3.44, 6 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]-5,5-diethyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 114013955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).