1-(4-tert-Butylbenzyl)piperazine

C₁₅H₂₄N₂CAS 956-61-6232.37 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₅H₂₄N₂
Molar mass: 232.37 g/mol
Exact mass: 232.1939 Da
logP: 2.39Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

956-61-6

SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCNCC2

InChIKey

UQLCETYSARZZSR-UHFFFAOYSA-N

InChI

InChI=1S/C15H24N2/c1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17/h4-7,16H,8-12H2,1-3H3

Weigh it out

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

Work with 1-(4-tert-Butylbenzyl)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

1-Benzylpiperazine2759-17-356 % similar 1-Benzylpiperazine2759-28-656 % similar Plerixafor110078-46-156 % similar 1-(4-Chlorobenzyl)piperazine23145-88-256 % similar 1-(4-Fluorobenzyl)piperazine70931-28-156 % similar 1-((4-Methoxyphenyl)methyl)piperazine21867-69-656 % similar 1-((Pyridin-4-yl)methyl)piperazine62089-74-153 % similar 4-Benzylpiperazine hydrochloride110475-31-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Aminomethyl)-N-cyclohexyl-N-ethylaniline1021237-25-1 Aloperine56293-29-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook