4-(4-Methyl-1-piperazinylmethyl)benzoic acid

C₁₃H₁₈N₂O₂CAS 106261-48-7234.30 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₃H₁₈N₂O₂
Molar mass: 234.30 g/mol
Exact mass: 234.1368 Da
logP: 1.13Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

106261-48-7

SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O

InChIKey

ZJUXJQSYXBYFFO-UHFFFAOYSA-N

InChI

InChI=1S/C13H18N2O2/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17/h2-5H,6-10H2,1H3,(H,16,17)

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Names and synonyms

1 names

4-(4-Methylpiperazin-1-ylmethyl)benzoic acid

Work with 4-(4-Methyl-1-piperazinylmethyl)benzoic acid

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

4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid dihydrochloride106261-49-891 % similar 4-(4-Methylpiperazinylmethyl)benzoyl chloride dihydrochloride106261-64-760 % similar 4-Ethylbenzoic acid619-64-751 % similar 4-(Dimethylamino)benzoic acid619-84-151 % similar 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-650 % similar 4-Propylbenzoic acid2438-05-350 % similar 1-Methyl-4-(phenylmethyl)piperazine hydrochloride (1:1)374898-00-749 % similar 4-(Hydroxymethyl)benzoic acid3006-96-049 % similar

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

Same formula

(R)-3-Amino-1-N-cbz-piperidine1044560-96-4 Benzyl 1,4-diazepane-1-carboxylate117009-97-9 (S)-2-(Aminomethyl)-1-cbz-pyrrolidine119020-03-0 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-1 Lenacil2164-08-1 Phenylmethyl (3S)-3-methyl-1-piperazinecarboxylate612493-87-5 Phenylmethyl 3-amino-1-piperidinecarboxylate711002-74-3

Elsewhere

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