2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine

C13H28N2 — CID 83147550

IUPAC2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine
SMILESCC1CN(CC(C)C(C)(C)C)C(C)CN1
InChIInChI=1S/C13H28N2/c1-10(13(4,5)6)8-15-9-11(2)14-7-12(15)3/h10-12,14H,7-9H2,1-6H3
InChIKeyFWHFPLXMEWNFOW-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds2

About 2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine

2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine (PubChem CID 83147550) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine
PubChem CID83147550
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine
SMILESCC1CN(CC(C)C(C)(C)C)C(C)CN1
InChIInChI=1S/C13H28N2/c1-10(13(4,5)6)8-15-9-11(2)14-7-12(15)3/h10-12,14H,7-9H2,1-6H3
InChIKeyFWHFPLXMEWNFOW-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

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Related Compounds

3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol
CID 82850214
1-(2,5-dimethylpiperazin-1-yl)butan-2-amine
CID 67575946
1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine
CID 81093833
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
2-(2,5-dimethylpiperazin-1-yl)ethanamine
CID 19767343
3-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropanoic acid
CID 164888568
1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine
CID 64979655
(5S)-2,5-dimethyl-1-prop-2-enylpiperazine
CID 91251130
2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide
CID 64980506
5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64841815
2-ethyl-5-propyl-1-(2,3,3-trimethylbutyl)piperazine
CID 83146417
methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate
CID 79619817

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine?
The IUPAC name of 2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine (CID 83147550) is 2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine.
What is the SMILES notation for 2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine?
The canonical SMILES for 2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine is CC1CN(CC(C)C(C)(C)C)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine?
The InChIKey is FWHFPLXMEWNFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(13(4,5)6)8-15-9-11(2)14-7-12(15)3/h10-12,14H,7-9H2,1-6H3.
What are the key properties of 2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine?
2,5-dimethyl-1-(2,3,3-trimethylbutyl)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 2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine is sourced from PubChem (CID 83147550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).