1-but-3-en-2-yl-2,5-diethylpiperazine

C12H24N2 — CID 64978837

IUPAC1-but-3-en-2-yl-2,5-diethylpiperazine
SMILESC=CC(C)N1CC(CC)NCC1CC
InChIInChI=1S/C12H24N2/c1-5-10(4)14-9-11(6-2)13-8-12(14)7-3/h5,10-13H,1,6-9H2,2-4H3
InChIKeyZGBNDILIKOLVSV-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.02
Rot. Bonds4

About 1-but-3-en-2-yl-2,5-diethylpiperazine

1-but-3-en-2-yl-2,5-diethylpiperazine (PubChem CID 64978837) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-but-3-en-2-yl-2,5-diethylpiperazine
PubChem CID64978837
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-but-3-en-2-yl-2,5-diethylpiperazine
SMILESC=CC(C)N1CC(CC)NCC1CC
InChIInChI=1S/C12H24N2/c1-5-10(4)14-9-11(6-2)13-8-12(14)7-3/h5,10-13H,1,6-9H2,2-4H3
InChIKeyZGBNDILIKOLVSV-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.02
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

2,5-diethyl-1-hexan-2-ylpiperazine
CID 64947739
2,5-diethyl-1-octan-2-ylpiperazine
CID 64946640
3-(2,5-diethylpiperazin-1-yl)butanoic acid
CID 64979155
2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276
N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide
CID 64978759
1-(1-cyclohexylpropyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64941532
2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 64977794
2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941278
2-ethyl-5-(2-methylpropyl)-1-(2,2,3,3-tetramethylcyclopropyl)piperazine
CID 79351246
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine
CID 64948086
1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine
CID 64977829
4-[1-(2,5-diethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237988

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-2,5-diethylpiperazine?
The IUPAC name of 1-but-3-en-2-yl-2,5-diethylpiperazine (CID 64978837) is 1-but-3-en-2-yl-2,5-diethylpiperazine.
What is the SMILES notation for 1-but-3-en-2-yl-2,5-diethylpiperazine?
The canonical SMILES for 1-but-3-en-2-yl-2,5-diethylpiperazine is C=CC(C)N1CC(CC)NCC1CC.
What is the InChIKey of 1-but-3-en-2-yl-2,5-diethylpiperazine?
The InChIKey is ZGBNDILIKOLVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-10(4)14-9-11(6-2)13-8-12(14)7-3/h5,10-13H,1,6-9H2,2-4H3.
What are the key properties of 1-but-3-en-2-yl-2,5-diethylpiperazine?
1-but-3-en-2-yl-2,5-diethylpiperazine has a molecular weight of 196.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-2,5-diethylpiperazine is sourced from PubChem (CID 64978837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).