3-(Dimethylamino)piperidine

C₇H₁₆N₂CAS 50534-49-1128.22 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₇H₁₆N₂
Molar mass: 128.22 g/mol
Exact mass: 128.1313 Da
logP: 0.30Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H227 Combustible liquid33.3% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

50534-49-1

SMILES

CN(C)C1CCCNC1

InChIKey

NMGVIZJUIPNHLI-UHFFFAOYSA-N

InChI

InChI=1S/C7H16N2/c1-9(2)7-4-3-5-8-6-7/h7-8H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

3-Dimethylaminopiperidine

Work with 3-(Dimethylamino)piperidine

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

(3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-474 % similar (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-674 % similar 3-(Dimethylamino)pyrrolidine69478-75-774 % similar (S)-3-Dimethylaminopyrrolidine 2hcl144043-20-965 % similar N,N-Dimethylpiperidin-4-amine50533-97-652 % similar 3-(Dimethylamino)azetidine dihydrochloride124668-49-150 % similar N,N-Dimethylcyclohexylamine98-94-250 % similar 4-(Dimethylamino)piperidine dihydrochloride4876-59-946 % 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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