chempirical

1-Octylpiperazine

C12H26N2CAS 54256-45-0198.35 g/mol

Open in Covalent MOL file
NNH
Secondary amineTertiary amine

Properties

Molecular formula
C12H26N2
Molar mass
198.35 g/mol
Exact mass
198.2096 Da
logP
2.25Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54256-45-0
SMILES
CCCCCCCCN1CCNCC1
InChIKey
RRZDZQLIIMBIDL-UHFFFAOYSA-N
InChI
InChI=1S/C12H26N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h13H,2-12H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Octylpiperazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Hexylpiperazine51619-55-7100 % similar 1-Decylpiperazine63207-03-4100 % similar 1-Heptylpiperazine82502-77-0100 % similar 1-Butylpiperazine5610-49-182 % similar Trihexylamine102-86-371 % similar Tridodecylamine102-87-471 % similar Trioctylamine1116-76-371 % similar Triheptylamine2411-36-171 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook