1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine

C16H32N2O — CID 106409163

IUPAC1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine
SMILESC=CCCOCCN1CC(C(C)(C)C)NCC1CC
InChIInChI=1S/C16H32N2O/c1-6-8-10-19-11-9-18-13-15(16(3,4)5)17-12-14(18)7-2/h6,14-15,17H,1,7-13H2,2-5H3
InChIKeyVWVKZWAATAMFPW-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.68
Rot. Bonds7

About 1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine

1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine (PubChem CID 106409163) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine
PubChem CID106409163
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine
SMILESC=CCCOCCN1CC(C(C)(C)C)NCC1CC
InChIInChI=1S/C16H32N2O/c1-6-8-10-19-11-9-18-13-15(16(3,4)5)17-12-14(18)7-2/h6,14-15,17H,1,7-13H2,2-5H3
InChIKeyVWVKZWAATAMFPW-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.68
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)-2,5-diethylpiperazine
CID 106409149
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761
3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935199
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412
5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
CID 113488306
5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine
CID 64841456
2-ethyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64845197
1-(2-ethoxyethyl)-2-ethyl-5-propylpiperazine
CID 64846765
5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
CID 103184526
5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine
CID 107165359
2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64940800

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine?
The IUPAC name of 1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine (CID 106409163) is 1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine is C=CCCOCCN1CC(C(C)(C)C)NCC1CC.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine?
The InChIKey is VWVKZWAATAMFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-8-10-19-11-9-18-13-15(16(3,4)5)17-12-14(18)7-2/h6,14-15,17H,1,7-13H2,2-5H3.
What are the key properties of 1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine?
1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine has a molecular weight of 268.44 g/mol, XLogP of 2.68, 7 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)-5-tert-butyl-2-ethylpiperazine is sourced from PubChem (CID 106409163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).