1-[1-(3-Methoxy-4-nitrophenyl)-4-piperidinyl]-4-methylpiperazine

C17H26N4O3CAS 761440-65-7334.42 g/mol

Open in Covalent MOL file
ONNNN+OO−
EtherNitroTertiary amine

Properties

Molecular formula
C17H26N4O3
Molar mass
334.42 g/mol
Exact mass
334.2005 Da
logP
1.82Crippen estimate
Polar surface area
62.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
761440-65-7
SMILES
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-]
InChIKey
HNYSXOZEEKWPNM-UHFFFAOYSA-N
InChI
InChI=1S/C17H26N4O3/c1-18-9-11-20(12-10-18)14-5-7-19(8-6-14)15-3-4-16(21(22)23)17(13-15)24-2/h3-4,13-14H,5-12H2,1-2H3

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Names and synonyms

3 names
  • Piperazine, 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]-4-methyl-
  • 1-[1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
  • 1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-methylpiperazine

Work with 1-[1-(3-Methoxy-4-nitrophenyl)-4-piperidinyl]-4-methylpiperazine

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

5-(4-Methylpiperazin-1-yl)-2-nitroaniline23491-48-756 % similar 4-Chloro-2-methoxy-1-nitrobenzene6627-53-847 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-746 % similar 1-(4-Amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine1089279-91-346 % similar 1-Methyl-4-(4-nitrophenyl)piperazine16155-03-645 % similar 2-Methoxy-4-methyl-1-nitrobenzene38512-82-245 % similar 4-Bromo-2-methoxy-1-nitrobenzene103966-66-144 % similar 3-Methoxy-4-nitrophenol16292-95-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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