2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine

C15H32N2O2 — CID 103414098

IUPAC2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine
SMILESCOCCOCCCN1CC(C)NCC1C(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-13-12-17(7-6-8-19-10-9-18-5)14(11-16-13)15(2,3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyIQCTWVMUGBSZCQ-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.75
Rot. Bonds7

About 2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine

2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine (PubChem CID 103414098) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine
PubChem CID103414098
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine
SMILESCOCCOCCCN1CC(C)NCC1C(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-13-12-17(7-6-8-19-10-9-18-5)14(11-16-13)15(2,3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyIQCTWVMUGBSZCQ-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
2-tert-butyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592038
2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
CID 64845180
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-2-propylpiperazine
CID 104567840
2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64845759
2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170275
1-[3-(2-methoxyethoxy)propyl]-3-methylpiperazine
CID 103411083
2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine
CID 64939101
1-(2-butoxyethyl)-2-tert-butyl-5-ethylpiperazine
CID 64841177
2-cyclopropyl-1-(2-methoxyethyl)-5-methylpiperazine
CID 64845102
2-tert-butyl-1-(3-ethoxypropyl)-5-(2-methylpropyl)piperazine
CID 65178297
5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
CID 65177639

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine?
The IUPAC name of 2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine (CID 103414098) is 2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine is COCCOCCCN1CC(C)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine?
The InChIKey is IQCTWVMUGBSZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-13-12-17(7-6-8-19-10-9-18-5)14(11-16-13)15(2,3)4/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine?
2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine has a molecular weight of 272.43 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine is sourced from PubChem (CID 103414098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).