chempirical

1-[(Benzyloxy)carbonyl]-4-methylpiperidine-4-carboxylic acid

C15H19NO4CAS 203522-12-7277.32 g/mol

Open in Covalent MOL file
NOOOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C15H19NO4
Molar mass
277.32 g/mol
Exact mass
277.1314 Da
logP
2.51Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
203522-12-7
SMILES
CC1(CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChIKey
JNCYTJCFOLFFMZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H19NO4/c1-15(13(17)18)7-9-16(10-8-15)14(19)20-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,17,18)

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Names and synonyms

1 names
  • 1-N-Cbz-4-methylpiperidine-4-carboxylic acid

Work with 1-[(Benzyloxy)carbonyl]-4-methylpiperidine-4-carboxylic 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

1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-958 % similar Benzyl 4-oxo-1-piperidinecarboxylate19099-93-556 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-555 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-455 % similar Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-753 % similar Phenylmethyl 1,2-dihydrospiro[3H-indole-3,4′-piperidine]-1′-carboxylate167484-18-653 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-152 % similar Benzyl 3-pyrroline-1-carboxylate31970-04-451 % similar

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

Same formula

Boc-D-tic-oh115962-35-1 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid149353-95-7 Methyl N-Cbz-piperidine-3-carboxylate174543-74-9 N,N,O-Triglycidyl-P-aminophenol5026-74-4

Elsewhere

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