1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine

C14H28N2O — CID 106409149

IUPAC1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine
SMILESC=CCCOCCN1CC(CC)NCC1CC
InChIInChI=1S/C14H28N2O/c1-4-7-9-17-10-8-16-12-13(5-2)15-11-14(16)6-3/h4,13-15H,1,5-12H2,2-3H3
InChIKeyRTBBRNWOEGCORR-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds8

About 1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine

1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine (PubChem CID 106409149) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine
PubChem CID106409149
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine
SMILESC=CCCOCCN1CC(CC)NCC1CC
InChIInChI=1S/C14H28N2O/c1-4-7-9-17-10-8-16-12-13(5-2)15-11-14(16)6-3/h4,13-15H,1,5-12H2,2-3H3
InChIKeyRTBBRNWOEGCORR-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine
CID 106409163
1-(2-ethoxyethyl)-2-ethyl-5-propylpiperazine
CID 64846765
1-(2-cyclopentyloxyethyl)-2,5-diethylpiperazine
CID 64941027
2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64845197
1-(3,3-diethoxypropyl)-2,5-diethylpiperazine
CID 81093832
2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine
CID 64978713
3-(2,5-diethylpiperazin-1-yl)propanoic acid
CID 64978721
4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355714
2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine
CID 64942402
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
1-(2-ethoxyethyl)-2,5-dipropylpiperazine
CID 64844595
1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
CID 64839963

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine?
The IUPAC name of 1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine (CID 106409149) is 1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine is C=CCCOCCN1CC(CC)NCC1CC.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine?
The InChIKey is RTBBRNWOEGCORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-7-9-17-10-8-16-12-13(5-2)15-11-14(16)6-3/h4,13-15H,1,5-12H2,2-3H3.
What are the key properties of 1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine?
1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine is sourced from PubChem (CID 106409149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).