5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine

C17H36N2 — CID 64862556

IUPAC5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
SMILESCCC(C)CN1CC(CC)(CC)NCC1CC(C)C
InChIInChI=1S/C17H36N2/c1-7-15(6)12-19-13-17(8-2,9-3)18-11-16(19)10-14(4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyCTFMQRWJAKIULB-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds7

About 5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine

5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine (PubChem CID 64862556) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
PubChem CID64862556
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
SMILESCCC(C)CN1CC(CC)(CC)NCC1CC(C)C
InChIInChI=1S/C17H36N2/c1-7-15(6)12-19-13-17(8-2,9-3)18-11-16(19)10-14(4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyCTFMQRWJAKIULB-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 114013955
1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 64860054
5,5-diethyl-2-(2-methylpropyl)-1-(2-propan-2-yloxyethyl)piperazine
CID 64860823
5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64860633
5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 82924886
1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
CID 64846849
5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
CID 64860440
1-(2,4-dimethylpentyl)-5,5-diethyl-2-methylpiperazine
CID 114201402
2-benzyl-5,5-diethyl-1-(2-methylpropyl)piperazine
CID 64861605
3,4-bis(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64876468
1-(cyclobutylmethyl)-5-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 65463085
1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64838733

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine?
The IUPAC name of 5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine (CID 64862556) is 5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine?
The canonical SMILES for 5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine is CCC(C)CN1CC(CC)(CC)NCC1CC(C)C.
What is the InChIKey of 5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine?
The InChIKey is CTFMQRWJAKIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-15(6)12-19-13-17(8-2,9-3)18-11-16(19)10-14(4)5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine?
5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64862556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).