1-(3-Carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine

C₁₇H₁₉N₃O₂CAS 61338-13-4297.36 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₇H₁₉N₃O₂
Molar mass: 297.36 g/mol
Exact mass: 297.1477 Da
Melting point: 160–161 °C
logP: 2.27Crippen estimate
Polar surface area: 56.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

61338-13-4

SMILES

CN1CCN(c2ncccc2C(=O)O)C(c2ccccc2)C1

InChIKey

HCVDLMUVEGPGGH-UHFFFAOYSA-N

InChI

InChI=1S/C17H19N3O2/c1-19-10-11-20(15(12-19)13-6-3-2-4-7-13)16-14(17(21)22)8-5-9-18-16/h2-9,15H,10-12H2,1H3,(H,21,22)

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Names and synonyms

4 names

3-Pyridinecarboxylic acid, 2-(4-methyl-2-phenyl-1-piperazinyl)-
2-(4-Methyl-2-phenyl-1-piperazinyl)-3-pyridinecarboxylic acid
1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine
2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinic acid

Work with 1-(3-Carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine

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-(3-Hydroxymethyl-2-pyridyl)-4-methyl-2-phenylpiperazine61337-89-163 % similar Mirtazapine61337-67-549 % similar Mirtazapine85650-52-849 % similar 2-Phenyl-3-pyridinecarboxylic acid33421-39-542 % similar 2-(Phenylthio)-3-pyridinecarboxylic acid35620-72-542 % similar 2-Methylnicotinic acid3222-56-840 % similar 2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid112811-90-240 % similar 2-Phenoxynicotinic acid35620-71-439 % similar

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

Same formula

1,1-Dimethylethyl 2-[[4-(2-pyridinyl)phenyl]methylene]hydrazinecarboxylate198904-84-6

Elsewhere

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