(S)-(+)-2-Methylpiperidine

C₆H₁₃NCAS 3197-42-099.18 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₆H₁₃N
Molar mass: 99.18 g/mol
Exact mass: 99.1048 Da
logP: 1.15Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

3197-42-0

SMILES

C[C@H]1CCCCN1

InChIKey

NNWUEBIEOFQMSS-LURJTMIESA-N

InChI

InChI=1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1

Weigh it out

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

Work with (S)-(+)-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 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.

2-Methylpiperidine109-05-7Stereo not defined

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

PubChem CAS Common Chemistry NIST WebBook