chempirical

1-Methylpiperidine-4-methylamine

C7H16N2CAS 7149-42-0128.22 g/mol

Open in Covalent MOL file
NNH2
Primary amineTertiary amine

Properties

Molecular formula
C7H16N2
Molar mass
128.22 g/mol
Exact mass
128.1313 Da
Boiling point
80–81 °C (at 20 Torr)
logP
0.29Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
7149-42-0
SMILES
CN1CCC(CN)CC1
InChIKey
AGTPSAZJSOQXHJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • (1-Methylpiperidin-4-yl)methanamine
  • 4-Piperidinemethanamine, 1-methyl-
  • Piperidine, 4-(aminomethyl)-1-methyl-
  • 1-Methyl-4-piperidinemethanamine
  • 4-Aminomethyl-1-methylpiperidine
  • NSC 72092
  • 1-Methyl-4-(aminomethyl)piperidine
  • 1-(1-Methylpiperidin-4-yl)methanamine
  • [(1-Methylpiperidin-4-yl)methyl]amine
  • (1-Methyl-4-piperidyl)methanamine
  • (1-Methylpiperidin-4-yl)methaneamine

Work with 1-Methylpiperidine-4-methylamine

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-Methyl-3-pyrrolidinemethanamine13005-11-374 % similar 2-(1-Methylpiperidin-4-yl)ethanamine20845-38-963 % similar 1-Methyl-4-piperidinemethanol20691-89-852 % similar Cyclopropanemethanamine2516-47-450 % similar 1,4-Cyclohexanedimethanamine2549-93-150 % similar 4-Amino-1-methylpiperidine41838-46-450 % similar 4-Aminomethyl-1-N-butylpiperidine65017-57-448 % similar Cyclobutanemethanamine4415-83-245 % similar

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

Same formula

(1-Methylpiperidin-3-yl)methanamine14613-37-7 1-Propylpiperazine21867-64-1 (2R)-1-Ethyl-2-pyrrolidinemethanamine22795-97-7 (2S)-1-Ethyl-2-pyrrolidinemethanamine22795-99-9 1-Pyrrolidinepropanamine23159-07-1 2-Aminomethyl-1-ethylpyrrolidine26116-12-1 1-Piperidineethanamine27578-60-5 1-Ethylhomopiperazine3619-73-6

Elsewhere

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