2-Phenylpiperazine

C₁₀H₁₄N₂CAS 5271-26-1162.24 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₀H₁₄N₂
Molar mass: 162.24 g/mol
Exact mass: 162.1157 Da
logP: 0.92Crippen estimate
Polar surface area: 24.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.8% of notifiers
H314 Causes severe skin burns and eye damage11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

5271-26-1

SMILES

C1CNC(CN1)C2=CC=CC=C2

InChIKey

RIMRLBGNCLMSNH-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-12H,6-8H2

Weigh it out

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

Work with 2-Phenylpiperazine

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

2-Phenylpyrrolidine1006-64-055 % similar 2-Phenylpiperidine3466-80-653 % similar 3-Phenylpyrrolidine936-44-750 % similar 3-Phenylpiperidine3973-62-447 % similar 1-Methyl-3-phenylpiperazine5271-27-246 % similar (R)-3-Phenyl-pyrrolidine hydrochloride851000-46-945 % similar 3-Phenyl-pyrrolidine hydrochloride857281-02-845 % similar 4-Phenylpiperidine771-99-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(±)-Anabasine13078-04-1 DL-Nicotine22083-74-5 1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine304690-94-6 Anabasine494-52-0 (-)-Nicotine54-11-5 1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl581-45-3 Phenylpiperazine92-54-6

Elsewhere

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