5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine

C17H36N2O — CID 64862566

IUPAC5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCCC1(CC)CN(CCOCCC(C)C)C(C)(C)CN1
InChIInChI=1S/C17H36N2O/c1-7-17(8-2)14-19(16(5,6)13-18-17)10-12-20-11-9-15(3)4/h15,18H,7-14H2,1-6H3
InChIKeyITNSAWRRDAFEHZ-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds8

About 5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine

5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine (PubChem CID 64862566) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine.

Molecular Properties

Compound Name5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
PubChem CID64862566
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCCC1(CC)CN(CCOCCC(C)C)C(C)(C)CN1
InChIInChI=1S/C17H36N2O/c1-7-17(8-2)14-19(16(5,6)13-18-17)10-12-20-11-9-15(3)4/h15,18H,7-14H2,1-6H3
InChIKeyITNSAWRRDAFEHZ-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
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

5,5-diethyl-2,2-dimethyl-1-(2-propoxyethyl)piperazine
CID 106458801
2,2,5,5-tetraethyl-1-(2-propoxyethyl)piperazine
CID 106458805
2,5,5-triethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64860265
2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine
CID 64839580
5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106733253
5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine
CID 82925143
5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64859759
2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64843727
6-(2-butoxyethyl)-8,8-diethyl-6,9-diazaspiro[4.5]decane
CID 64861043
2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64839085
2-cyclopropyl-5,5-diethyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 115943677
4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64878399

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The IUPAC name of 5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine (CID 64862566) is 5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine.
What is the SMILES notation for 5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The canonical SMILES for 5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine is CCC1(CC)CN(CCOCCC(C)C)C(C)(C)CN1.
What is the InChIKey of 5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The InChIKey is ITNSAWRRDAFEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-17(8-2)14-19(16(5,6)13-18-17)10-12-20-11-9-15(3)4/h15,18H,7-14H2,1-6H3.
What are the key properties of 5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine is sourced from PubChem (CID 64862566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).