(S)-3-Methylpiperidine hydrochloride

C₆H₁₄ClNCAS 155797-02-7135.64 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 (S)-3-Hydroxypiperidine hydrochloride475058-41-450 % similar 3-Hydroxypiperidine hydrochloride64051-79-250 % similar 3-Fluoropiperidine HCl737000-77-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethylaminoethyl chloride100-35-6 Allyltrimethylammonium chloride1516-27-4 Cyclohexylamine hydrochloride4998-76-9 Aminomethylcyclopentane hydrochloride58714-85-5 2,2-Dimethylpyrrolidine hydrochloride623580-01-8

Elsewhere

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