(-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine

C₁₇H₁₉ClN₂CAS 130018-88-1286.80 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₇H₁₉ClN₂
Molar mass: 286.80 g/mol
Exact mass: 286.1237 Da
logP: 3.33Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed60% of notifiers
H315 Causes skin irritation20% of notifiers
H317 May cause an allergic skin reaction20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H335 May cause respiratory irritation20% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure20% of notifiers
H400 Very toxic to aquatic life20% of notifiers
H413 May cause long lasting harmful effects to aquatic life20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

130018-88-1

SMILES

Clc1ccc([C@@H](c2ccccc2)N2CCNCC2)cc1

InChIKey

UZKBSZSTDQSMDR-QGZVFWFLSA-N

InChI

InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2/t17-/m1/s1

Weigh it out

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

Names and synonyms

7 names

Piperazine, 1-[(R)-(4-chlorophenyl)phenylmethyl]-
1-[(R)-(4-Chlorophenyl)phenylmethyl]piperazine
(R)-1-(p-Chlorobenzhydryl)piperazine
N-[(R)-α-(4-Chlorophenylbenzyl]piperazine
1-[(R)-α-(4-Chlorophenylbenzyl]piperazine
1-[(R)-(4-Chlorophenyl)-phenylmethyl]piperazine
(R)-1-((4-Chlorophenyl)(phenyl)methyl)piperazine

Work with (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine

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.

Norchlorcyclizine303-26-4Stereo not defined (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine300543-56-0

Similar compounds

1-(4,4'-Dichlorobenzhydryl)piperazine27469-61-087 % similar Diphenylmethylpiperazine841-77-077 % similar 1-(4-Fluoro-alpha-phenylbenzyl)piperazine27064-89-767 % similar 4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol109806-71-560 % similar 1-[Bis(4-fluorophenyl)methyl]piperazine27469-60-956 % similar Meclizine569-65-353 % similar (±)-Hydroxyzine68-88-252 % similar 1-(1-Phenylethyl)piperazine69628-75-751 % similar

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

Elsewhere

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