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

C15H32N2O2 — CID 64843102

IUPAC2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
SMILESCCC1CN(CCOCCOC)C(C(C)CC)CN1
InChIInChI=1S/C15H32N2O2/c1-5-13(3)15-11-16-14(6-2)12-17(15)7-8-19-10-9-18-4/h13-16H,5-12H2,1-4H3
InChIKeyHWCAKXWQBMMOCM-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.75
Rot. Bonds9

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

2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine (PubChem CID 64843102) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
PubChem CID64843102
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
SMILESCCC1CN(CCOCCOC)C(C(C)CC)CN1
InChIInChI=1S/C15H32N2O2/c1-5-13(3)15-11-16-14(6-2)12-17(15)7-8-19-10-9-18-4/h13-16H,5-12H2,1-4H3
InChIKeyHWCAKXWQBMMOCM-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.75
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-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64848161
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
CID 104650200
2-butan-2-yl-5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64843484
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-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64845837
2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine
CID 106458816
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717
2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64839227

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine?
The IUPAC name of 2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine (CID 64843102) is 2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine?
The canonical SMILES for 2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine is CCC1CN(CCOCCOC)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine?
The InChIKey is HWCAKXWQBMMOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-13(3)15-11-16-14(6-2)12-17(15)7-8-19-10-9-18-4/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine?
2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine has a molecular weight of 272.43 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine is sourced from PubChem (CID 64843102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).