chempirical

1-Carbobenzoxy-4-piperidinecarboxylic Acid

C14H17NO4CAS 10314-98-4263.29 g/mol

Open in Covalent MOL file
NOOHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C14H17NO4
Molar mass
263.29 g/mol
Exact mass
263.1158 Da
logP
2.12Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
10314-98-4
SMILES
C1CN(CCC1C(=O)O)C(=O)OCC2=CC=CC=C2
InChIKey
URTPNQRAHXRPMP-UHFFFAOYSA-N
InChI
InChI=1S/C14H17NO4/c16-13(17)12-6-8-15(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)

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Names and synonyms

1 names
  • 1-[(Benzyloxy)carbonyl]piperidine-4-carboxylic acid

Work with 1-Carbobenzoxy-4-piperidinecarboxylic 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-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-776 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-569 % similar Benzyl 4-(chloroformyl)-1-piperidinecarboxylic acid10314-99-568 % similar Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-766 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-165 % similar (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-864 % similar 1-Benzoyl-4-piperidinecarboxylic acid5274-99-764 % similar 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-364 % similar

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

Elsewhere

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