N-Methyl-4-chloropiperidine hydrochloride

C₆H₁₃Cl₂NCAS 5382-23-0170.08 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₆H₁₃Cl₂N
Molar mass: 170.08 g/mol
Exact mass: 169.0425 Da
Melting point: 163–165 °C
Boiling point: 47–48 °C (at 10 Torr)
logP: 1.74Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage14.6% of notifiers
H315 Causes skin irritation82.9% of notifiers
H318 Causes serious eye damage14.6% of notifiers
H319 Causes serious eye irritation82.9% of notifiers
H335 May cause respiratory irritation80.5% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

5382-23-0

SMILES

CN1CCC(Cl)CC1.Cl

InChIKey

QDOJNWFOCOWAPO-UHFFFAOYSA-N

InChI

InChI=1S/C6H12ClN.ClH/c1-8-4-2-6(7)3-5-8;/h6H,2-5H2,1H3;1H

Weigh it out

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

Names and synonyms

5 names

Piperidine, 4-chloro-1-methyl-, hydrochloride (1:1)
Piperidine, 4-chloro-1-methyl-, hydrochloride
4-Chloro-N-methylpiperidine hydrochloride
4-Chloro-1-methylpiperidine hydrochloride
1-Methyl-4-chloropiperidine hydrochloride

Work with N-Methyl-4-chloropiperidine 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.

4-Chloro-1-methylpiperidine5570-77-4Free base

Similar compounds

4-Amino-1-methylpiperidine dihydrochloride1193-03-954 % similar Nitrogen mustard55-86-748 % similar 1-Methylisonipecotic acid hydrochloride71985-80-344 % similar 4-Hydroxy-1-methylpiperidine106-52-542 % similar 1-Methylpiperazine dihydrochloride34352-59-542 % similar 4-Amino-1-methylpiperidine41838-46-442 % similar 4-Chloropiperidine hydrochloride5382-19-442 % similar 4-Bromo-1-methylpiperidine76444-51-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Chloroethyl)pyrrolidine hydrochloride7050-67-1 1-(2-Chloroethyl)pyrrolidine hydrochloride7250-67-1

Elsewhere

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