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

C17H36N2O — CID 64843727

IUPAC2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCCC1CN(CCOCCC(C)C)C(CC)(CC)CN1
InChIInChI=1S/C17H36N2O/c1-6-16-13-19(10-12-20-11-9-15(4)5)17(7-2,8-3)14-18-16/h15-16,18H,6-14H2,1-5H3
InChIKeyRNJSUBPVMRRCDO-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds9

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

2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine (PubChem CID 64843727) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine.

Molecular Properties

Compound Name2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
PubChem CID64843727
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCCC1CN(CCOCCC(C)C)C(CC)(CC)CN1
InChIInChI=1S/C17H36N2O/c1-6-16-13-19(10-12-20-11-9-15(4)5)17(7-2,8-3)14-18-16/h15-16,18H,6-14H2,1-5H3
InChIKeyRNJSUBPVMRRCDO-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine
CID 64839580
2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine
CID 64849149
5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64859759
2,5-diethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184518
1-(cyclopentylmethyl)-2,2,5-triethylpiperazine
CID 64841400
2,2,5-triethyl-1-prop-2-enylpiperazine
CID 64842758
5,5-diethyl-2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64862566
3-ethyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64842964
1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine
CID 107897984
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 103184536
8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64860926
2,2,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64841398

Frequently Asked Questions

What is the IUPAC name of 2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The IUPAC name of 2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine (CID 64843727) is 2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine.
What is the SMILES notation for 2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The canonical SMILES for 2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine is CCC1CN(CCOCCC(C)C)C(CC)(CC)CN1.
What is the InChIKey of 2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The InChIKey is RNJSUBPVMRRCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-16-13-19(10-12-20-11-9-15(4)5)17(7-2,8-3)14-18-16/h15-16,18H,6-14H2,1-5H3.
What are the key properties of 2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine is sourced from PubChem (CID 64843727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).