2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine

C16H34N2O — CID 106458706

IUPAC2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CC(C)(CC)NCC1C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-7-10-19-11-9-18-13-16(6,8-2)17-12-14(18)15(3,4)5/h14,17H,7-13H2,1-6H3
InChIKeyKXOAQPDBUIRZQG-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds6

About 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine

2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine (PubChem CID 106458706) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine
PubChem CID106458706
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CC(C)(CC)NCC1C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-7-10-19-11-9-18-13-16(6,8-2)17-12-14(18)15(3,4)5/h14,17H,7-13H2,1-6H3
InChIKeyKXOAQPDBUIRZQG-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-1-(2-ethoxyethyl)-5-ethyl-5-methylpiperazine
CID 64848895
2-tert-butyl-5-ethyl-5-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64848897
2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81113839
3-ethyl-3,7-dimethyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458890
5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine
CID 106458707
2-tert-butyl-5-ethyl-5-methyl-1-prop-2-enylpiperazine
CID 64848908
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
2,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methylpiperazine
CID 104567913
2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine
CID 64849270
5-ethyl-2,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592085
2-tert-butyl-5-ethyl-5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine
CID 114532367
8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64877000

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine (CID 106458706) is 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine is CCCOCCN1CC(C)(CC)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine?
The InChIKey is KXOAQPDBUIRZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-10-19-11-9-18-13-16(6,8-2)17-12-14(18)15(3,4)5/h14,17H,7-13H2,1-6H3.
What are the key properties of 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine?
2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine is sourced from PubChem (CID 106458706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).