Diphenylmethylpiperazine

C₁₇H₂₀N₂CAS 841-77-0252.36 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₇H₂₀N₂
Molar mass: 252.36 g/mol
Exact mass: 252.1626 Da
Melting point: 70–72 °C
Boiling point: 189–190 °C (at 1 Torr)
logP: 2.68Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed92.3% of notifiers
H315 Causes skin irritation13.5% of notifiers
H319 Causes serious eye irritation13.5% of notifiers
H332 Harmful if inhaled11.5% of notifiers
H335 May cause respiratory irritation11.5% of notifiers

Aggregated from 52 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

841-77-0

SMILES

c1ccc(C(c2ccccc2)N2CCNCC2)cc1

InChIKey

NWVNXDKZIQLBNM-UHFFFAOYSA-N

InChI

InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2

Weigh it out

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

Names and synonyms

10 names

Piperazine, 1-(diphenylmethyl)-
1-(Diphenylmethyl)piperazine
Norcyclizine
Benzhydrylpiperazine
N-Benzhydrylpiperazine
1-Benzhydrylpiperazine
N-(Diphenylmethyl)piperazine
4-(Diphenylmethyl)piperazine
4-Benzhydrylpiperazine
NSC 35536

Work with Diphenylmethylpiperazine

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-Chlorophenyl)phenylmethyl]piperazine130018-88-177 % similar 1-(4-Fluoro-alpha-phenylbenzyl)piperazine27064-89-777 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine300543-56-077 % similar Norchlorcyclizine303-26-477 % similar 1-[Bis(4-fluorophenyl)methyl]piperazine27469-60-963 % similar 1-(4,4'-Dichlorobenzhydryl)piperazine27469-61-063 % similar 1-(1-Phenylethyl)piperazine69628-75-763 % similar 1-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine69159-50-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Benzyl-4-phenylpiperazine3074-46-2 1-(Diphenylmethyl)-3-azetidinemethanamine36476-88-7 1-Benzhydryl-N-methyl-3-azetidinamine69159-49-5

Elsewhere

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