1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine

C16H34N2 — CID 64941869

IUPAC1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CC(C)C(C)C
InChIInChI=1S/C16H34N2/c1-7-16-9-17-15(8-12(2)3)11-18(16)10-14(6)13(4)5/h12-17H,7-11H2,1-6H3
InChIKeyAKNFTGMOXYMEJM-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds6

About 1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine

1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine (PubChem CID 64941869) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine
PubChem CID64941869
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CC(C)C(C)C
InChIInChI=1S/C16H34N2/c1-7-16-9-17-15(8-12(2)3)11-18(16)10-14(6)13(4)5/h12-17H,7-11H2,1-6H3
InChIKeyAKNFTGMOXYMEJM-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
1-(2-cyclopentylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64934770
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
2-ethyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848728
2-ethyl-5-propyl-1-(2,3,3-trimethylbutyl)piperazine
CID 83146417
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 106733055
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine
CID 64849112
2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine
CID 64947706
2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64848535

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine (CID 64941869) is 1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1CC(C)C(C)C.
What is the InChIKey of 1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The InChIKey is AKNFTGMOXYMEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-16-9-17-15(8-12(2)3)11-18(16)10-14(6)13(4)5/h12-17H,7-11H2,1-6H3.
What are the key properties of 1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine?
1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64941869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).