1-(1,1-Dimethylethyl) 4-(4-carboxyphenyl)-1-piperidinecarboxylate

C₁₇H₂₃NO₄CAS 149353-75-3305.37 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₇H₂₃NO₄
Molar mass: 305.37 g/mol
Exact mass: 305.1627 Da
logP: 3.50Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

149353-75-3

SMILES

CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)O)cc2)CC1

InChIKey

YCNVQGGUCDVTIZ-UHFFFAOYSA-N

InChI

InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-8-13(9-11-18)12-4-6-14(7-5-12)15(19)20/h4-7,13H,8-11H2,1-3H3,(H,19,20)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1-Piperidinecarboxylic acid, 4-(4-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester
4-(4-Carboxyphenyl)piperidine-1-carboxylic acid tert-butyl ester
4-[1-(tert-Butoxycarbonyl)piperidin-4-yl]benzoic acid
N-Boc-4-(4-carboxyphenyl)piperidine

Work with 1-(1,1-Dimethylethyl) 4-(4-carboxyphenyl)-1-piperidinecarboxylate

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

tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate1198408-35-358 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-252 % similar 4-Cyclohexylbenzoic acid20029-52-151 % similar (S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate1171197-20-851 % similar N-Boc-4-piperidinemethanol123855-51-650 % similar 1-N-Boc-4-(phenylamino)piperidine125541-22-249 % similar 4-(trans-4-Ethylcyclohexyl)benzoic acid87592-41-449 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-749 % similar

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

Same formula

2-(1,1-Dimethylethyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate16881-39-3

Elsewhere

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