chempirical

1-Allylpiperazine

C7H14N2CAS 13961-36-9126.20 g/mol

Open in Covalent MOL file
NNH
AlkeneSecondary amineTertiary amine

Properties

Molecular formula
C7H14N2
Molar mass
126.20 g/mol
Exact mass
126.1157 Da
logP
0.08Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
13961-36-9
SMILES
C=CCN1CCNCC1
InChIKey
ZWAQJGHGPPDZSF-UHFFFAOYSA-N
InChI
InChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2

Weigh it out

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

Work with 1-Allylpiperazine

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-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-542 % similar 1-Ethylpiperazine5308-25-840 % similar 1-Cinnamylpiperazine18903-01-039 % similar Aminoethylpiperazine140-31-838 % similar 1-[2-(Dimethylamino)ethyl]piperazine3644-18-637 % similar N,N-Dimethylallylamine2155-94-436 % similar Diallylmethylamine2424-01-336 % similar 1-Piperazinepropanol5317-32-836 % similar

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

Same formula

5-Methyl-1H-hexahydropyrrolo[3,4-B]pyrrole132414-59-6 (4As,7as)-octahydro-1H-pyrrolo[3,4-B]pyridine151213-40-0 (4Ar,7ar)-octahydro-1H-pyrrolo[3,4-B]pyridine151213-42-2 1-Cyclopropylpiperazine20327-23-5 3-[(1,1-Dimethylethyl)amino]propanenitrile21539-53-7 N-Amino-3-azabicyclo[3.3.0]octane54528-00-6 N,N'-Diisopropylcarbodiimide693-13-0

Elsewhere

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