1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine

C19H40N2 — CID 54206184

IUPAC1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine
SMILESCN1CCN(CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H40N2/c1-16(2,3)18(6,7)19(8,9)17(4,5)15-21-13-11-20(10)12-14-21/h11-15H2,1-10H3
InChIKeyPSQDFQWFLIOOOI-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.36
Rot. Bonds4

About 1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine

1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine (PubChem CID 54206184) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine
PubChem CID54206184
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine
SMILESCN1CCN(CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H40N2/c1-16(2,3)18(6,7)19(8,9)17(4,5)15-21-13-11-20(10)12-14-21/h11-15H2,1-10H3
InChIKeyPSQDFQWFLIOOOI-UHFFFAOYSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine?
The IUPAC name of 1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine (CID 54206184) is 1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine?
The canonical SMILES for 1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine is CN1CCN(CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C)CC1.
What is the InChIKey of 1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine?
The InChIKey is PSQDFQWFLIOOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-16(2,3)18(6,7)19(8,9)17(4,5)15-21-13-11-20(10)12-14-21/h11-15H2,1-10H3.
What are the key properties of 1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine?
1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine has a molecular weight of 296.54 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,3,3,4,4,5,5-octamethylhexyl)piperazine is sourced from PubChem (CID 54206184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).