chempirical

(S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate

C16H24N2O2CAS 1171197-20-8276.38 g/mol

Open in Covalent MOL file
OONNH2
CarbamatePrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1171197-20-8
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)C2=CC=C(C=C2)N
InChIKey
SWUANUQBXJNXGP-CYBMUJFWSA-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/t13-/m1/s1

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Work with (S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate

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

(S)-tert-Butyl 3-aminopiperidine-1-carboxylate625471-18-356 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-554 % similar 1-Boc-piperidine-3-carboxaldehyde118156-93-752 % similar tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate1198408-35-352 % similar N-Boc-piperidine-3-methanol116574-71-151 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-351 % similar Ethyl 1-boc-3-piperidinecarboxylate130250-54-351 % similar 1-(1,1-Dimethylethyl) 4-(4-carboxyphenyl)-1-piperidinecarboxylate149353-75-351 % 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 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-5 (±)-Molindone7416-34-4

Elsewhere

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