2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine

C13H28N2O — CID 106458488

IUPAC2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCCC1(C)CNCCN1CCOCC(C)C
InChIInChI=1S/C13H28N2O/c1-5-13(4)11-14-6-7-15(13)8-9-16-10-12(2)3/h12,14H,5-11H2,1-4H3
InChIKeyPHGPPDXIFXDSLB-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine

2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine (PubChem CID 106458488) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine.

Molecular Properties

Compound Name2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine
PubChem CID106458488
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCCC1(C)CNCCN1CCOCC(C)C
InChIInChI=1S/C13H28N2O/c1-5-13(4)11-14-6-7-15(13)8-9-16-10-12(2)3/h12,14H,5-11H2,1-4H3
InChIKeyPHGPPDXIFXDSLB-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
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

6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64844424
2-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperazine
CID 107901392
3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 106458594
2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine
CID 131187954
1-(cyclopentylmethyl)-2-ethyl-2-methylpiperazine
CID 64832354
5-cyclopropyl-2-ethyl-2-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64859759
2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64832567
5-tert-butyl-2,2-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458636
4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 177032197
2-cyclopropyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]-5-propylpiperazine
CID 106458552
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106458569
2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458501

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The IUPAC name of 2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine (CID 106458488) is 2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine.
What is the SMILES notation for 2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The canonical SMILES for 2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine is CCC1(C)CNCCN1CCOCC(C)C.
What is the InChIKey of 2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The InChIKey is PHGPPDXIFXDSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(4)11-14-6-7-15(13)8-9-16-10-12(2)3/h12,14H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine is sourced from PubChem (CID 106458488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).