chempirical

(S)-(+)-2-Methylpiperidine

C6H13NCAS 3197-42-099.18 g/mol

Open in Covalent MOL file
HN
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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

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 2-Methylpyrrolidine765-38-883 % similar (2R)-(-)-2-Methylpyrrolidine hydrochloride135324-85-571 % similar (S)-2-Methylpyrrolidine hydrochloride174500-74-471 % similar 5-Methyl-[1,4]diazepane22777-05-552 % similar 2,6-Dimethylpiperidine504-03-048 % similar 2,2′-Bipiperidine531-67-948 % similar Rel-(2R,6S)-2,6-Dimethylpiperidine766-17-648 % 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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