chempirical

1-Piperidinepropanenitrile

C8H14N2CAS 3088-41-3138.21 g/mol

Open in Covalent MOL file
NN
NitrileTertiary amine

Properties

Molecular formula
C8H14N2
Molar mass
138.21 g/mol
Exact mass
138.1157 Da
Density
0.9427 g/mL (at 20 °C)
Melting point
−6.8 °C
Boiling point
116 °C (at 18 Torr)
logP
1.39Crippen estimate
Polar surface area
27.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
3088-41-3
SMILES
N#CCCN1CCCCC1
InChIKey
YZICFVIUVMCCOC-UHFFFAOYSA-N
InChI
InChI=1S/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H2

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

Names and synonyms

7 names
  • 1-Piperidinepropionitrile
  • β-Piperidinopropionitrile
  • 3-Piperidinopropionitrile
  • 3-Piperidinopropanenitrile
  • 3-(1-Piperidinyl)propionitrile
  • 1-(2-Cyanoethyl)piperidine
  • 3-(Piperidin-1-yl)propanenitrile

Work with 1-Piperidinepropanenitrile

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-Pyrrolidinepropanenitrile26165-45-794 % similar 1-Piperidineacetonitrile3010-03-559 % similar 4-Morpholinepropanenitrile4542-47-658 % similar 1-Pyrrolidineacetonitrile29134-29-055 % similar Nonanedinitrile1675-69-050 % similar Sebaconitrile1871-96-150 % similar Dodecanedinitrile4543-66-250 % similar Octanedinitrile629-40-350 % similar

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

Same formula

1-Butyl-2-methyl-1H-imidazole13435-22-8 1-Pyrrolidinebutanenitrile35543-25-0

Elsewhere

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