2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine

C15H32N2 — CID 64845180

IUPAC2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
SMILESCC1CN(CCC(C)(C)C)C(C(C)(C)C)CN1
InChIInChI=1S/C15H32N2/c1-12-11-17(9-8-14(2,3)4)13(10-16-12)15(5,6)7/h12-13,16H,8-11H2,1-7H3
InChIKeyUJCUJIZHGJXWBH-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds2

About 2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine

2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine (PubChem CID 64845180) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
PubChem CID64845180
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
SMILESCC1CN(CCC(C)(C)C)C(C(C)(C)C)CN1
InChIInChI=1S/C15H32N2/c1-12-11-17(9-8-14(2,3)4)13(10-16-12)15(5,6)7/h12-13,16H,8-11H2,1-7H3
InChIKeyUJCUJIZHGJXWBH-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64845759
2-tert-butyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592038
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine
CID 64850100
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine
CID 103414098
2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170275
2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64844009
2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine
CID 106440349
2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
CID 64845564
2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
CID 64845947
2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64845762

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine?
The IUPAC name of 2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine (CID 64845180) is 2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine is CC1CN(CCC(C)(C)C)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine?
The InChIKey is UJCUJIZHGJXWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12-11-17(9-8-14(2,3)4)13(10-16-12)15(5,6)7/h12-13,16H,8-11H2,1-7H3.
What are the key properties of 2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine?
2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine is sourced from PubChem (CID 64845180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).