2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine

C15H32N2O — CID 104650200

IUPAC2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
SMILESCCC1CN(CCCCOC)C(C(C)CC)CN1
InChIInChI=1S/C15H32N2O/c1-5-13(3)15-11-16-14(6-2)12-17(15)9-7-8-10-18-4/h13-16H,5-12H2,1-4H3
InChIKeyJDRIGCIVYVAPMP-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About 2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine

2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine (PubChem CID 104650200) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
PubChem CID104650200
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
SMILESCCC1CN(CCCCOC)C(C(C)CC)CN1
InChIInChI=1S/C15H32N2O/c1-5-13(3)15-11-16-14(6-2)12-17(15)9-7-8-10-18-4/h13-16H,5-12H2,1-4H3
InChIKeyJDRIGCIVYVAPMP-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64843102
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
CID 103414108
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717
2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
CID 64862424
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64848161
2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
2-butan-2-yl-5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64843484
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090
2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine
CID 64876502

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine (CID 104650200) is 2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine is CCC1CN(CCCCOC)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine?
The InChIKey is JDRIGCIVYVAPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-13(3)15-11-16-14(6-2)12-17(15)9-7-8-10-18-4/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine?
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine is sourced from PubChem (CID 104650200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).