2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine

C17H36N2O2 — CID 64848161

IUPAC2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
SMILESCCC(C)C1CNC(CC(C)C)CN1CCOCCOC
InChIInChI=1S/C17H36N2O2/c1-6-15(4)17-12-18-16(11-14(2)3)13-19(17)7-8-21-10-9-20-5/h14-18H,6-13H2,1-5H3
InChIKeyQBVIJXRGDYCAFI-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.38
Rot. Bonds10

About 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine

2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine (PubChem CID 64848161) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
PubChem CID64848161
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
SMILESCCC(C)C1CNC(CC(C)C)CN1CCOCCOC
InChIInChI=1S/C17H36N2O2/c1-6-15(4)17-12-18-16(11-14(2)3)13-19(17)7-8-21-10-9-20-5/h14-18H,6-13H2,1-5H3
InChIKeyQBVIJXRGDYCAFI-UHFFFAOYSA-N
XLogP2.38
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methylpropyl)-1-propylpiperazine
CID 64847775
2-butan-2-yl-5-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64861848
2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
CID 103414108
2-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64849325
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
CID 104650200
2-butan-2-yl-1,5-bis(2-methylpropyl)piperazine
CID 64847195
2-butan-2-yl-5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64843484
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64845837
2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine
CID 106458816
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 115943612

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine (CID 64848161) is 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine is CCC(C)C1CNC(CC(C)C)CN1CCOCCOC.
What is the InChIKey of 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine?
The InChIKey is QBVIJXRGDYCAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-6-15(4)17-12-18-16(11-14(2)3)13-19(17)7-8-21-10-9-20-5/h14-18H,6-13H2,1-5H3.
What are the key properties of 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine?
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine has a molecular weight of 300.49 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64848161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).