1-Piperidineacetonitrile

C7H12N2CAS 3010-03-5124.19 g/mol

Open in Covalent MOL file
NN
NitrileTertiary amine

Properties

Molecular formula
C7H12N2
Molar mass
124.19 g/mol
Exact mass
124.1000 Da
Melting point
19 °C
Boiling point
83 °C (at 9 Torr)
logP
1.00Crippen estimate
Polar surface area
27.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number
3010-03-5
SMILES
N#CCN1CCCCC1
InChIKey
CLVBVRODHJFTGF-UHFFFAOYSA-N
InChI
InChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-7H2

Weigh it out

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

Names and synonyms

7 names
  • Piperidinoacetonitrile
  • N-(Cyanomethyl)piperidine
  • NSC 26716
  • NSC 47261
  • NSC 62871
  • 2-(Piperidin-1-yl)acetonitrile
  • 2-Piperidinoacetonitrile

Work with 1-Piperidineacetonitrile

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

Pyrrolidine-1-acetonitrile29134-29-094 % similar 1-Piperidinepropanenitrile3088-41-359 % similar 1-Pyrrolidinebutanenitrile35543-25-055 % similar 2-(Diethylamino)acetonitrile3010-02-448 % similar Dimethylaminoacetonitrile926-64-739 % similar Nonanedinitrile1675-69-038 % similar Sebaconitrile1871-96-138 % similar Dodecanedinitrile4543-66-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrrolidine-1-propiononitrile26165-45-7 1,5-Diazabicyclo[4.3.0]non-5-ene3001-72-7 1-Propyl-2-methylimidazole33214-18-5 Butylimidazole4316-42-1 2-Butyl-1H-imidazole50790-93-7 2-Methyl-1-(1-methylethyl)-1H-imidazole84606-45-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook