4-Amino-1-methylpiperidine

C₆H₁₄N₂CAS 41838-46-4114.19 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₆H₁₄N₂
Molar mass: 114.19 g/mol
Exact mass: 114.1157 Da
Melting point: 237–239 °C
Boiling point: 83 °C (at 48 Torr)
logP: 0.04Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor50% of notifiers
H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H314 Causes severe skin burns and eye damage62.5% of notifiers
H315 Causes skin irritation37.5% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation37.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

41838-46-4

SMILES

CN1CCC(N)CC1

InChIKey

ALOCUZOKRULSAA-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2/c1-8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3

Weigh it out

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

Names and synonyms

6 names

4-Piperidinamine, 1-methyl-
Piperidine, 4-amino-1-methyl-
1-Methyl-4-piperidinamine
1-Methyl-4-aminopiperidine
1-Methylpiperidin-4-ylamine
N-Methyl-4-aminopiperidine

Work with 4-Amino-1-methylpiperidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Amino-1-methylpiperidine dihydrochloride1193-03-9Salt

Similar compounds

1-(1-Methylethyl)-4-piperidinamine127285-08-950 % similar 1-Ethylpiperidin-4-amine50534-45-750 % similar 1-Methylpiperidine-4-methylamine7149-42-050 % similar 2-(1-Methylpiperidin-4-yl)ethanamine20845-38-948 % similar 1-Propylpiperidin-4-amine42389-59-348 % similar 4-Hydroxy-1-methylpiperidine106-52-548 % similar 4-Chloro-1-methylpiperidine5570-77-448 % similar 4-Bromo-1-methylpiperidine76444-51-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethylpiperazine106-55-8 1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 trans-1,2-Diaminocyclohexane1121-22-8 1-Methyl-3-pyrrolidinemethanamine13005-11-3 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0

Elsewhere

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