1-(1-Phenylethyl)piperazine

C₁₂H₁₈N₂CAS 69628-75-7190.29 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂
Molar mass: 190.29 g/mol
Exact mass: 190.1470 Da
logP: 1.65Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

69628-75-7

SMILES

CC(c1ccccc1)N1CCNCC1

InChIKey

PYBNQKSXWAIBKN-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3

Weigh it out

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

Names and synonyms

3 names

Piperazine, 1-(1-phenylethyl)-
Piperazine, 1-(α-methylbenzyl)-
1-(α-Methylbenzyl)piperazine

Work with 1-(1-Phenylethyl)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

Similar compounds

Diphenylmethylpiperazine841-77-063 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine130018-88-151 % similar 1-(4-Fluoro-alpha-phenylbenzyl)piperazine27064-89-751 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine300543-56-051 % similar Norchlorcyclizine303-26-451 % similar (alphaS)-N,N,alpha-Trimethylbenzenemethanamine17279-31-148 % similar (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-948 % similar 1-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine69159-50-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2,6-Dimethylphenyl)piperazine1012-91-5 1-(2,3-Dimethylphenyl)piperazine1013-22-5 1-(2,5-Dimethylphenyl)piperazine1013-25-8 1-(2,4-Dimethylphenyl)piperazine1013-76-9 1-(3,4-Dimethylphenyl)piperazine1014-05-7 (R)-3-Amino-1-benzylpiperidine168466-84-0 (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-1 (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook