4-(4-Benzylpiperazin-1-yl)aniline

C₁₇H₂₁N₃CAS 16154-69-1267.38 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₇H₂₁N₃
Molar mass: 267.38 g/mol
Exact mass: 267.1735 Da
logP: 2.59Crippen estimate
Polar surface area: 32.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16154-69-1

SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)N

InChIKey

PZWVVLZWQWIEAV-UHFFFAOYSA-N

InChI

InChI=1S/C17H21N3/c18-16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14,18H2

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

Names and synonyms

1 names

4-(4-Benzylpiperazino)aniline

Work with 4-(4-Benzylpiperazin-1-yl)aniline

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-Benzyl-4-phenylpiperazine3074-46-273 % similar 4-(4-Benzylpiperazin-1-yl)benzaldehyde166438-88-661 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-559 % similar 4-(4-Ethyl-1-piperazinyl)benzenamine115619-01-757 % similar 4-(Piperidin-1-ylmethyl)aniline29608-05-753 % similar 4-(Piperidin-1-yl)aniline2359-60-652 % similar 4-(4-Methylpiperazin-1-yl)aniline16153-81-451 % similar 1-(2-Aminoethyl)-4-benzylpiperazine4553-21-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Solvent yellow 34492-80-8

Elsewhere

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