2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine

C12H26N2 — CID 131187954

IUPAC2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine
SMILESCCC1(C)CNCCN1C(C)C(C)C
InChIInChI=1S/C12H26N2/c1-6-12(5)9-13-7-8-14(12)11(4)10(2)3/h10-11,13H,6-9H2,1-5H3
InChIKeyAXXWLFOSRZEEMJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds3

About 2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine

2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine (PubChem CID 131187954) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine.

Molecular Properties

Compound Name2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine
PubChem CID131187954
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine
SMILESCCC1(C)CNCCN1C(C)C(C)C
InChIInChI=1S/C12H26N2/c1-6-12(5)9-13-7-8-14(12)11(4)10(2)3/h10-11,13H,6-9H2,1-5H3
InChIKeyAXXWLFOSRZEEMJ-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
1-(2-Methylpropyl)piperazine
CID 2052052
1,2,2-Trimethylpiperazine
CID 21973776
1,2,2,6,6-Pentamethylpiperazine
CID 114362
3-Methyl-2-(piperazin-1-yl)butanenitrile
CID 16227099
2,2,6,6-Tetramethylpiperazine
CID 12700823
1-(Butan-2-yl)piperazine
CID 2735696
4-(4-Methylpiperazin-1-yl)butan-2-amine
CID 20069902
1-(3,3-Dimethylbutyl)piperazine
CID 23112345
2-(Propan-2-yl)piperazine
CID 558976
1-Tert-butylpiperazine
CID 3530572
1-(3-Methylbutyl)piperazine
CID 10057758

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine?
The IUPAC name of 2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine (CID 131187954) is 2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine.
What is the SMILES notation for 2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine?
The canonical SMILES for 2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine is CCC1(C)CNCCN1C(C)C(C)C.
What is the InChIKey of 2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine?
The InChIKey is AXXWLFOSRZEEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-12(5)9-13-7-8-14(12)11(4)10(2)3/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine?
2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1-(3-methylbutan-2-yl)piperazine is sourced from PubChem (CID 131187954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).