1-Piperonylpiperazine

C₁₂H₁₆N₂O₂CAS 32231-06-4220.27 g/mol

Open in Covalent MOL file

Acetal Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₆N₂O₂
Molar mass: 220.27 g/mol
Exact mass: 220.1212 Da
Melting point: 97–102 °C
Boiling point: 147–149 °C (at 2 Torr)
logP: 0.82Crippen estimate
Polar surface area: 33.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage10.6% of notifiers
H315 Causes skin irritation89.4% of notifiers
H319 Causes serious eye irritation89.4% of notifiers
H335 May cause respiratory irritation87.2% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

32231-06-4

SMILES

c1cc2c(cc1CN1CCNCC1)OCO2

InChIKey

NBOOZXVYXHATOW-UHFFFAOYSA-N

InChI

InChI=1S/C12H16N2O2/c1-2-11-12(16-9-15-11)7-10(1)8-14-5-3-13-4-6-14/h1-2,7,13H,3-6,8-9H2

Weigh it out

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

Names and synonyms

19 names · show all

Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-
Piperazine, 1-piperonyl-
1-(1,3-Benzodioxol-5-ylmethyl)piperazine
N-(3,4-Methylenedioxybenzyl)piperazine
1-(3,4-Methylenedioxybenzyl)piperazine
N-Piperonylpiperazine
5-(Piperazinomethyl)-1,3-benzodioxole
1-(4-Piperonyl)piperazine
1-(Benzo[1,3]dioxol-5-ylmethyl)piperazine
1-(3,4-Methylenedioxyphenylmethyl)piperazine
1-(1,3-Benzodioxolan-5-ylmethyl)piperazine
1-(Benzodioxol-5-ylmethyl)piperazine
4-[(Benzodioxol-5-yl)methyl]piperazine
4-(4-Piperonyl)piperazine
4-[(1,3-Benzodioxol-5-yl)methyl]piperazine
N-[(1,3-Benzodioxol-5-yl)methyl]piperazine
1-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazine
1-[(Benzo[d][1,3]dioxol-5-yl)methyl]piperazine
1-[(1,3-Dioxaindan-5-yl)methyl]piperazine

Work with 1-Piperonylpiperazine

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

Piribedil3605-01-456 % similar Piperonyl chloride20850-43-551 % similar Fipexide34161-24-549 % similar 1-((4-Methoxyphenyl)methyl)piperazine21867-69-649 % similar 1-(3-Chlorobenzyl)piperazine23145-91-749 % similar 1-(3-Fluorobenzyl)piperazine55513-19-449 % similar Plerixafor110078-46-149 % similar 1-(4-Chlorobenzyl)piperazine23145-88-249 % similar

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

Same formula

(S)-1-Cbz-3-aminopyrrolidine122536-72-5 Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-6 3-Amino-1-benzylpyrrolidine-3-carboxylic acid145602-87-5 (S)-3-N-Cbz-aminopyrrolidine176970-12-0 Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-5 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-6 Benzyl piperazine-1-carboxylate31166-44-6 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone67914-60-7

Elsewhere

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