1-Benzyl-4-phenylpiperazine

C17H20N2CAS 3074-46-2252.36 g/mol

Open in Covalent MOL file
NN
Tertiary amine

Properties

Molecular formula
C17H20N2
Molar mass
252.36 g/mol
Exact mass
252.1626 Da
logP
3.01Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3074-46-2
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=C3
InChIKey
VEJWDLHOLWGRLH-UHFFFAOYSA-N
InChI
InChI=1S/C17H20N2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-10H,11-15H2

Weigh it out

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

Work with 1-Benzyl-4-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

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-574 % similar 4-(4-Benzylpiperazin-1-yl)aniline16154-69-173 % similar 4-(4-Benzylpiperazin-1-yl)benzaldehyde166438-88-667 % similar Dibenzylaniline91-73-664 % similar 1-Benzylpiperidine2905-56-859 % similar Tribenzylamine620-40-658 % similar 1-(2-Aminoethyl)-4-benzylpiperazine4553-21-357 % similar 2,2'-((Phenylmethyl)imino)bisethanol101-32-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Diphenylmethyl)-3-azetidinemethanamine36476-88-7 1-Benzhydryl-N-methyl-3-azetidinamine69159-49-5 Diphenylmethylpiperazine841-77-0

Elsewhere

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