5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine

C19H40N2 — CID 64842828

IUPAC5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine
SMILESCCCCCCCCN1CC(C(C)(C)C)NCC1(C)CC
InChIInChI=1S/C19H40N2/c1-7-9-10-11-12-13-14-21-15-17(18(3,4)5)20-16-19(21,6)8-2/h17,20H,7-16H2,1-6H3
InChIKeyLZUTXHIRXSAGIX-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.84
Rot. Bonds8

About 5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine

5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine (PubChem CID 64842828) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine
PubChem CID64842828
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine
SMILESCCCCCCCCN1CC(C(C)(C)C)NCC1(C)CC
InChIInChI=1S/C19H40N2/c1-7-9-10-11-12-13-14-21-15-17(18(3,4)5)20-16-19(21,6)8-2/h17,20H,7-16H2,1-6H3
InChIKeyLZUTXHIRXSAGIX-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine
CID 64841098
5-tert-butyl-2-ethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64842641
5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64860145
5-tert-butyl-2-ethyl-1-(2-ethylbutyl)-2-methylpiperazine
CID 82924884
5-tert-butyl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64842838
5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
CID 65460670
1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine
CID 107897969
5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine
CID 64849755
1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine
CID 79445824
2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine
CID 81114777
5-tert-butyl-1-heptyl-2-methylpiperazine
CID 64841619
5-tert-butyl-2-cyclopropyl-1-octylpiperazine
CID 64841844

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine (CID 64842828) is 5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine is CCCCCCCCN1CC(C(C)(C)C)NCC1(C)CC.
What is the InChIKey of 5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine?
The InChIKey is LZUTXHIRXSAGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-7-9-10-11-12-13-14-21-15-17(18(3,4)5)20-16-19(21,6)8-2/h17,20H,7-16H2,1-6H3.
What are the key properties of 5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine?
5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine has a molecular weight of 296.54 g/mol, XLogP of 4.84, 8 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-2-methyl-1-octylpiperazine is sourced from PubChem (CID 64842828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).