1-(3-Biphenylyl)piperazine

C₁₆H₁₈N₂CAS 115761-61-0238.33 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₆H₁₈N₂
Molar mass: 238.33 g/mol
Exact mass: 238.1470 Da
logP: 2.76Crippen 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 skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

115761-61-0

SMILES

C1CN(CCN1)C2=CC=CC(=C2)C3=CC=CC=C3

InChIKey

MHBONQZDOYFHIB-UHFFFAOYSA-N

InChI

InChI=1S/C16H18N2/c1-2-5-14(6-3-1)15-7-4-8-16(13-15)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2

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Names and synonyms

1 names

1-Biphenyl-3-yl-piperazine

Work with 1-(3-Biphenylyl)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

Phenylpiperazine92-54-668 % similar 1-(3-Methylphenyl)piperazine41186-03-264 % similar 1-(3-Chlorophenyl)piperazine6640-24-063 % similar 1-Phenylpiperazine hydrochloride2210-93-761 % similar 1-(3-Fluorophenyl)piperazine3801-89-661 % similar 1-(3-Bromophenyl)piperazine31197-30-559 % similar 1-(3-Hydroxyphenyl)piperazine59817-32-259 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Biphenyl-4-yl-piperazine180698-19-5 1-(Diphenylmethyl)-3-azetidinamine40432-52-8 {2-[3,4-Dihydro-2(1H)-isoquinolinyl]-phenyl}methanamine937599-97-8

Elsewhere

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