2-Methylpiperidine

C₆H₁₃NCAS 109-05-799.18 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₆H₁₃N
Molar mass: 99.18 g/mol
Exact mass: 99.1048 Da
Density: 0.9527 g/mL (at 21 °C)
Boiling point: 120 °C
logP: 1.15Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed87.8% of notifiers
H314 Causes severe skin burns and eye damage16.3% of notifiers
H315 Causes skin irritation83.7% of notifiers
H318 Causes serious eye damage87.8% of notifiers
H335 May cause respiratory irritation81.6% of notifiers

Aggregated from 49 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+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

109-05-7

SMILES

CC1CCCCN1

InChIKey

NNWUEBIEOFQMSS-UHFFFAOYSA-N

InChI

InChI=1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3

Weigh it out

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

Names and synonyms

9 names

Piperidine, 2-methyl-
2-Pipecoline
α-Pipecoline
α-Methylpiperidine
(±)-α-Pipecoline
DL-2-Methylpiperidine
(±)-2-Methylpiperidine
NSC 31047
NSC 462

Work with 2-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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

(S)-(+)-2-Methylpiperidine3197-42-0Defined stereoisomer

Similar compounds

(2R)-2-Methylpyrrolidine41720-98-383 % similar (2S)-2-Methylpyrrolidine59335-84-183 % similar 2-Methylpyrrolidine765-38-883 % similar (2R)-(-)-2-Methylpyrrolidine hydrochloride135324-85-571 % similar (S)-2-Methylpyrrolidine hydrochloride174500-74-471 % similar 2-Methylpyrrolidine hydrochloride54677-53-171 % similar 5-Methyl-[1,4]diazepane22777-05-552 % similar 2,6-Dimethylpiperidine504-03-048 % similar

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

Same formula

Cyclohexylamine108-91-8 Azepane111-49-9 N-Ethyl-2-methylallylamine18328-90-0 2,2-Dimethylpyrrolidine35018-15-6 3-Methylpiperidine626-56-2 4-Methylpiperidine626-58-4 N-Methylpiperidine626-67-5

Elsewhere

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