2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine

C13H28N2 — CID 64844981

IUPAC2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
SMILESCC(C)CN1CC(C)NCC1C(C)(C)C
InChIInChI=1S/C13H28N2/c1-10(2)8-15-9-11(3)14-7-12(15)13(4,5)6/h10-12,14H,7-9H2,1-6H3
InChIKeyLKTKBBRTYJCTDK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds2

About 2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine

2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine (PubChem CID 64844981) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
PubChem CID64844981
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
SMILESCC(C)CN1CC(C)NCC1C(C)(C)C
InChIInChI=1S/C13H28N2/c1-10(2)8-15-9-11(3)14-7-12(15)13(4,5)6/h10-12,14H,7-9H2,1-6H3
InChIKeyLKTKBBRTYJCTDK-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-5-methyl-1-(2-methylpropyl)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-methylpropyl)-5-propylpiperazine
CID 64839180
2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64845759
2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
CID 64845180
2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine
CID 64859818
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-chloro-2-methylprop-2-enyl)-5-methylpiperazine
CID 106440349
2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64844786
2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
CID 64845564
2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
CID 64845947
2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine
CID 83147550
2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64845762

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine?
The IUPAC name of 2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine (CID 64844981) is 2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine?
The canonical SMILES for 2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine is CC(C)CN1CC(C)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine?
The InChIKey is LKTKBBRTYJCTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)8-15-9-11(3)14-7-12(15)13(4,5)6/h10-12,14H,7-9H2,1-6H3.
What are the key properties of 2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine?
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 64844981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).