1-(2-Phenylethyl)piperazine

C₁₂H₁₈N₂CAS 5321-49-3190.29 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
Melting point: 156 °C
Boiling point: 156–158 °C (at 10 Torr)
logP: 1.13Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed88.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

5321-49-3

SMILES

c1ccc(CCN2CCNCC2)cc1

InChIKey

LKUAPSRIYZLAAO-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2

Weigh it out

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

Names and synonyms

7 names

Piperazine, 1-(2-phenylethyl)-
Piperazine, 1-phenethyl-
1-Phenethylpiperazine
N-(β-Phenylethyl)piperazine
N-Phenethylpiperazine
4-Phenethylpiperazine
N-(2-Phenylethyl)piperazine

Work with 1-(2-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

1-Benzylpiperazine2759-17-369 % similar 1-Benzylpiperazine2759-28-669 % similar 4-Benzylpiperazine hydrochloride110475-31-562 % similar 1-Benzyl-1,4-diazepane4410-12-262 % similar Benzylpiperazine dihydrochloride5321-63-162 % similar 1-(2-Benzyloxy-ethyl)-piperazine4981-85-561 % similar 1-(2-Pyridin-2-yl-ethyl)-piperazine53345-15-656 % similar 1-(2-Phenoxyethyl)piperazine13484-37-255 % 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

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