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

C16H32N2 — CID 107897984

IUPAC1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine
SMILESC/C=C/CN1CC(CC(C)C)NCC1(CC)CC
InChIInChI=1S/C16H32N2/c1-6-9-10-18-12-15(11-14(4)5)17-13-16(18,7-2)8-3/h6,9,14-15,17H,7-8,10-13H2,1-5H3/b9-6+
InChIKeyDGTWVJXWRJMYDH-RMKNXTFCSA-N
MW252.45 g/mol
LogP3.44
Rot. Bonds6

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

1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine (PubChem CID 107897984) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine
PubChem CID107897984
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine
SMILESC/C=C/CN1CC(CC(C)C)NCC1(CC)CC
InChIInChI=1S/C16H32N2/c1-6-9-10-18-12-15(11-14(4)5)17-13-16(18,7-2)8-3/h6,9,14-15,17H,7-8,10-13H2,1-5H3/b9-6+
InChIKeyDGTWVJXWRJMYDH-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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Related Compounds

2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
CID 64847994
2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine
CID 64849149
2,2,5-triethyl-1-prop-2-enylpiperazine
CID 64842758
2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64843727
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 80697725
1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 114013930
1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine
CID 114014146
2,2-dimethyl-1-(2-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64849914
5-tert-butyl-2,2-diethyl-1-prop-2-enylpiperazine
CID 64843213
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 79445054
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane
CID 107898013

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine (CID 107897984) is 1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine is C/C=C/CN1CC(CC(C)C)NCC1(CC)CC.
What is the InChIKey of 1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine?
The InChIKey is DGTWVJXWRJMYDH-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-9-10-18-12-15(11-14(4)5)17-13-16(18,7-2)8-3/h6,9,14-15,17H,7-8,10-13H2,1-5H3/b9-6+.
What are the key properties of 1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine?
1-[(E)-but-2-enyl]-2,2-diethyl-5-(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]-2,2-diethyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 107897984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).