4-P-Aminophenyl-1-boc-piperidine

C₁₆H₂₄N₂O₂CAS 170011-57-1276.38 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₆H₂₄N₂O₂
Molar mass: 276.38 g/mol
Exact mass: 276.1838 Da
logP: 3.38Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

170011-57-1

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)N

InChIKey

YRLQFRXDWBFGMK-UHFFFAOYSA-N

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11,17H2,1-3H3

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Names and synonyms

1 names

tert-Butyl 4-(4-aminophenyl)piperidine-1-carboxylate

Work with 4-P-Aminophenyl-1-boc-piperidine

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

3-(4-Amino-phenyl)-piperidine-1-carboxylic acid tert-butyl ester875798-79-174 % similar tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate1198408-35-369 % similar 1-(1,1-Dimethylethyl) 4-(4-carboxyphenyl)-1-piperidinecarboxylate149353-75-368 % similar 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-964 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-756 % similar tert-Butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate1476776-55-254 % similar 1-Boc-4-(aminomethyl)piperidine144222-22-053 % similar 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate1171197-20-8 1-N-Boc-4-(phenylamino)piperidine125541-22-2 (S)-(-)-1-Benzyl-3-(boc-amino)pyrrolidine131852-53-4 (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine131878-23-4 1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate169447-86-3 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-5 tert-Butyl 3-Benzylpiperazine-1-carboxylate502649-29-8 tert-Butyl 4-benzylpiperazine-1-carboxylate57260-70-5

Elsewhere

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