chempirical

(S)-3-Methylpiperidine hydrochloride

C6H14ClNCAS 155797-02-7135.64 g/mol

Open in Covalent MOL file
NHHCl
Secondary amine

Properties

Molecular formula
C6H14ClN
Molar mass
135.64 g/mol
Exact mass
135.0815 Da
logP
1.43Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
155797-02-7
SMILES
C[C@H]1CCCNC1.Cl
InChIKey
DIJAKMCTWBGMNQ-RGMNGODLSA-N
InChI
InChI=1S/C6H13N.ClH/c1-6-3-2-4-7-5-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1

Weigh it out

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

Names and synonyms

1 names
  • (3S)-3-Methylpiperidine hydrochloride

Work with (S)-3-Methylpiperidine hydrochloride

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.

3-Methylpiperidine626-56-2Free base, stereo not defined

Similar compounds

3-(Methylamino)piperidine dihydrochloride127294-77-352 % similar Piperidin-3-amine dihydrochloride138060-07-850 % similar (R)-3-Hydroxypiperidine hydrocloride198976-43-150 % similar (S)-3-Aminopiperidine dihydrochloride334618-07-450 % similar (R)-(-)-3-Aminopiperidine dihydrochloride334618-23-450 % similar 3-Hydroxypiperidine hydrochloride64051-79-250 % similar (2S)-2-Methylmorpholine hydrochloride1147108-99-343 % similar (2R)-(-)-2-Methylpyrrolidine hydrochloride135324-85-543 % similar

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

Same formula

Diethylaminoethyl chloride100-35-6 Allyltrimethylammonium chloride1516-27-4 Cyclohexylammonium chloride4998-76-9 2,2-Dimethylpyrrolidine hydrochloride623580-01-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook