1-(2-Chloroethyl)piperidine hydrochloride

C₇H₁₅Cl₂NCAS 2008-75-5184.10 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₇H₁₅Cl₂N
Molar mass: 184.10 g/mol
Exact mass: 183.0582 Da
Melting point: 231 °C
Boiling point: 196 °C
logP: 2.13Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowed98.7% of notifiers
H314 Causes severe skin burns and eye damage98.7% of notifiers
H341 Suspected of causing genetic defects45.5% of notifiers

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, P501

Identifiers

CAS number

2008-75-5

SMILES

Cl.ClCCN1CCCCC1

InChIKey

VFLQQZCRHPIGJU-UHFFFAOYSA-N

InChI

InChI=1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H

Weigh it out

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

Names and synonyms

12 names

Piperidine, 1-(2-chloroethyl)-, hydrochloride (1:1)
Piperidine, 1-(2-chloroethyl)-, hydrochloride
N-(β-Chloroethyl)piperidine hydrochloride
1-Chloro-2-piperidinoethane hydrochloride
2-Piperidinoethyl chloride hydrochloride
N-(2-Chloroethyl)piperidine hydrochloride
2-Piperidino-1-chloroethane hydrochloride
2-(Piperidin-1-yl)ethyl chloride hydrochloride
1-(2-Chloroethyl)piperidine monohydrochloride
2-(1-Piperidinyl)-1-chloroethane hydrochloride
1-(2-Chloroethyl)piperidinium chloride
1-Chloro-2-(1-piperidinyl)ethane monohydrochloride

Work with 1-(2-Chloroethyl)piperidine 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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

1-(2-Chloroethyl)piperidine1932-03-2Free base

Similar compounds

N-(2-Chloroethyl)perhydroazepine hydrochloride26487-67-2100 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7050-67-194 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7250-67-194 % similar 1-(2-Chloroethyl)pyrrolidine5050-41-978 % similar 4-(2-Chloroethyl)morpholine hydrochloride3647-69-658 % similar 1-Chloro-2-(diethylamine)ethane hydrochloride869-24-954 % similar 4-(3-Chloropropyl)morpholine hydrochloride57616-74-754 % similar 3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride2031-23-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(2-Chloroethyl)-N-methylpyrrolidine hydrochloride56824-22-7 1-(3-Chloropropyl)-pyrrolidine hydrochloride57616-69-0

Elsewhere

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