4-Chloro-1-methylpiperidine

C₆H₁₂ClNCAS 5570-77-4133.62 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₆H₁₂ClN
Molar mass: 133.62 g/mol
Exact mass: 133.0658 Da
Boiling point: 160–162 °C (at 733 Torr)
logP: 1.32Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor10% of notifiers
H226 Flammable liquid and vapor88.3% of notifiers
H302+H312 Harmful if swallowed or in contact with skin10% of notifiers
H302 Harmful if swallowed10% of notifiers
H312 Harmful in contact with skin10% of notifiers
H314 Causes severe skin burns and eye damage96.7% of notifiers
H331 Toxic if inhaled10% of notifiers
H412 Harmful to aquatic life with long lasting effects10% of notifiers

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

5570-77-4

SMILES

CN1CCC(Cl)CC1

InChIKey

MYGXGCCFTPKWIH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Piperidine, 4-chloro-1-methyl-
4-Chloro-N-methylpiperidine
N-Methyl-4-chloropiperidine
1-Methyl-4-piperidyl chloride
1-Methyl-4-chloropiperidine
1-Methyl-4-piperidinyl chloride

Work with 4-Chloro-1-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.

N-Methyl-4-chloropiperidine hydrochloride5382-23-0Salt

Similar compounds

4-Hydroxy-1-methylpiperidine106-52-548 % similar 4-Amino-1-methylpiperidine41838-46-448 % similar 4-Bromo-1-methylpiperidine76444-51-448 % similar 1-(1-Methyl-4-piperidinyl)piperazine23995-88-246 % similar 1,4-Dimethylpiperazine106-58-144 % similar 1-Methyl-4-piperidinemethanol20691-89-844 % similar 1-Methylpiperidine-4-methylamine7149-42-044 % similar 1-Methyl-4-(methylamino)piperidine73579-08-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylenepiperidine hydrochloride144230-50-2 1-Chloro-N,N-2-trimethylpropenylamine26189-59-3 7-Azabicyclo[2,2,1]heptane hydrochloride27514-07-4 1-(2-Chloroethyl)pyrrolidine5050-41-9 Diallylammonium chloride6147-66-6

Elsewhere

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