5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine

C16H32N2O — CID 114469740

IUPAC5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
SMILESC=C(C)COCCN1CC(C(C)CC)NCC1CC
InChIInChI=1S/C16H32N2O/c1-6-14(5)16-11-18(15(7-2)10-17-16)8-9-19-12-13(3)4/h14-17H,3,6-12H2,1-2,4-5H3
InChIKeyVUPRWUVJJSGLCO-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.68
Rot. Bonds8

About 5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine

5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine (PubChem CID 114469740) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
PubChem CID114469740
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
SMILESC=C(C)COCCN1CC(C(C)CC)NCC1CC
InChIInChI=1S/C16H32N2O/c1-6-14(5)16-11-18(15(7-2)10-17-16)8-9-19-12-13(3)4/h14-17H,3,6-12H2,1-2,4-5H3
InChIKeyVUPRWUVJJSGLCO-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64834120
4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64939113
5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64847451
5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294228
5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458682
5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64938534
5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184537
2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64839227
1-[2-(5-bromothiophen-2-yl)ethyl]-5-butan-2-yl-2-ethylpiperazine
CID 106043969
5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine
CID 64937935
5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64936870
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine (CID 114469740) is 5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine is C=C(C)COCCN1CC(C(C)CC)NCC1CC.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
The InChIKey is VUPRWUVJJSGLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-14(5)16-11-18(15(7-2)10-17-16)8-9-19-12-13(3)4/h14-17H,3,6-12H2,1-2,4-5H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine has a molecular weight of 268.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine is sourced from PubChem (CID 114469740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).