1-Biphenyl-4-yl-piperazine

C₁₆H₁₈N₂CAS 180698-19-5238.33 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

180698-19-5

SMILES

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

InChIKey

OAKBDDKEEOAXNV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1-(4-Biphenylyl)-piperazine

Work with 1-Biphenyl-4-yl-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

Phenylpiperazine92-54-676 % similar 1-Phenylpiperazine hydrochloride2210-93-768 % similar 1-(4-Chlorophenyl)piperazine38212-33-859 % similar 1-(4-Fluorophenyl)piperazine2252-63-357 % similar 1-(p-Tolyl)piperazine39593-08-357 % similar p-(1-Piperazinyl)phenol56621-48-857 % similar 1-(4-Bromophenyl)piperazine66698-28-057 % similar 4-(1-Piperazinyl)benzonitrile68104-63-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3-Biphenylyl)piperazine115761-61-0 1-(Diphenylmethyl)-3-azetidinamine40432-52-8 {2-[3,4-Dihydro-2(1H)-isoquinolinyl]-phenyl}methanamine937599-97-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook