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

C₁₇H₂₆N₄O₃CAS 761440-65-7334.42 g/mol

Open in Covalent MOL file

Nitro Tertiary 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 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 4

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

2 names

Piperazine, 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]-4-methyl-
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

Elsewhere

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