2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine

C17H36N2O — CID 103016324

IUPAC2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine
SMILESCOC(C)(C)CCN1CC(C(C)C)NCC1C(C)(C)C
InChIInChI=1S/C17H36N2O/c1-13(2)14-12-19(10-9-17(6,7)20-8)15(11-18-14)16(3,4)5/h13-15,18H,9-12H2,1-8H3
InChIKeyOBYCWVVKLQVJRE-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds5

About 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine

2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine (PubChem CID 103016324) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine
PubChem CID103016324
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine
SMILESCOC(C)(C)CCN1CC(C(C)C)NCC1C(C)(C)C
InChIInChI=1S/C17H36N2O/c1-13(2)14-12-19(10-9-17(6,7)20-8)15(11-18-14)16(3,4)5/h13-15,18H,9-12H2,1-8H3
InChIKeyOBYCWVVKLQVJRE-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine 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

1-(3-Methoxy-3-methylbutyl)piperazine
CID 12052553
1-(3-Methoxy-2,2,3-trimethylbutyl)piperazine
CID 144147436
ethane;3-[3-(4-ethylpiperazin-1-yl)-3-methylbutoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 168190164
4-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pentan-2-amine
CID 43147157
4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine
CID 43147230
4-methoxy-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pentan-2-amine
CID 43749003
4-methoxy-4-methyl-N-(2-piperidin-1-ylpropyl)pentan-2-amine
CID 54899828
2-(4-methoxypiperidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 55074888
4-methoxy-4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pentan-2-amine
CID 61240095
4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine
CID 61241408
N-ethyl-1-(4-methoxypiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 61773871
1-(4-methoxypiperidin-1-yl)-N,3,3-trimethylbutan-2-amine
CID 61774066

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine (CID 103016324) is 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine is COC(C)(C)CCN1CC(C(C)C)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine?
The InChIKey is OBYCWVVKLQVJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-13(2)14-12-19(10-9-17(6,7)20-8)15(11-18-14)16(3,4)5/h13-15,18H,9-12H2,1-8H3.
What are the key properties of 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine?
2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3-methoxy-3-methylbutyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 103016324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).