5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine

C17H36N2 — CID 82924884

IUPAC5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine
SMILESCCC(CC)CN1CC(C(C)(C)C)NCC1(C)CC
InChIInChI=1S/C17H36N2/c1-8-14(9-2)11-19-12-15(16(4,5)6)18-13-17(19,7)10-3/h14-15,18H,8-13H2,1-7H3
InChIKeyNPCJJOKHKQRSDQ-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds5

About 5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine

5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine (PubChem CID 82924884) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine
PubChem CID82924884
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine
SMILESCCC(CC)CN1CC(C(C)(C)C)NCC1(C)CC
InChIInChI=1S/C17H36N2/c1-8-14(9-2)11-19-12-15(16(4,5)6)18-13-17(19,7)10-3/h14-15,18H,8-13H2,1-7H3
InChIKeyNPCJJOKHKQRSDQ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine (CID 82924884) is 5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine is CCC(CC)CN1CC(C(C)(C)C)NCC1(C)CC.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine?
The InChIKey is NPCJJOKHKQRSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-14(9-2)11-19-12-15(16(4,5)6)18-13-17(19,7)10-3/h14-15,18H,8-13H2,1-7H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine?
5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine is sourced from PubChem (CID 82924884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).