3-(4-Amino-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

C₁₆H₂₄N₂O₂CAS 875798-79-1276.38 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

875798-79-1

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC=C(C=C2)N

InChIKey

SWUANUQBXJNXGP-UHFFFAOYSA-N

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-4-5-13(11-18)12-6-8-14(17)9-7-12/h6-9,13H,4-5,10-11,17H2,1-3H3

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Names and synonyms

1 names

1-Boc-3-(4-Aminophenyl)piperidine

Work with 3-(4-Amino-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate1171197-20-8Defined stereoisomer

Similar compounds

tert-Butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate1476776-55-275 % similar 1-Boc-3-aminopiperidine144243-24-356 % similar N-Boc-3-aminopiperidine184637-48-756 % similar (R)-1-Boc-3-aminopiperidine188111-79-756 % similar (S)-tert-Butyl 3-aminopiperidine-1-carboxylate625471-18-356 % similar 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-956 % similar tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-454 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-554 % similar

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

Same formula

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 4-P-Aminophenyl-1-boc-piperidine170011-57-1 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-5 tert-Butyl 3-Benzylpiperazine-1-carboxylate502649-29-8

Elsewhere

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