Phenylmethyl 1,2-dihydrospiro[3H-indole-3,4′-piperidine]-1′-carboxylate

C₂₀H₂₂N₂O₂CAS 167484-18-6322.41 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₂₀H₂₂N₂O₂
Molar mass: 322.41 g/mol
Exact mass: 322.1681 Da
Melting point: 115–117 °C
logP: 3.78Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

167484-18-6

SMILES

O=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccccc12

InChIKey

XJUPGFXGJQIYQG-UHFFFAOYSA-N

InChI

InChI=1S/C20H22N2O2/c23-19(24-14-16-6-2-1-3-7-16)22-12-10-20(11-13-22)15-21-18-9-5-4-8-17(18)20/h1-9,21H,10-15H2

Weigh it out

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

Names and synonyms

4 names

Spiro[3H-indole-3,4′-piperidine]-1′-carboxylic acid, 1,2-dihydro-, phenylmethyl ester
1′-(Benzyloxycarbonyl)spiro(indoline-3,4′-piperidine)
1,2-Dihydrospiro[3H-indole-3,4′-piperidine]-1′-carboxylic acid phenylmethyl ester
Benzyl spiro[indoline-3,4′-piperidine]-1′-carboxylate

Work with Phenylmethyl 1,2-dihydrospiro[3H-indole-3,4′-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

Benzyl piperazine-1-carboxylate31166-44-655 % similar 1-[(Benzyloxy)carbonyl]-4-methylpiperidine-4-carboxylic acid203522-12-753 % similar Benzyl 4-oxo-1-piperidinecarboxylate19099-93-552 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-952 % similar 1-Cbz-4-methylene-piperidine138163-12-951 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-149 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-549 % similar 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-348 % similar

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

Same formula

N-[(2′-Cyano[1,1′-biphenyl]-4-yl)methyl]-L-valine methyl ester137863-89-9 Oil blue A14233-37-5 (+)-Gelsemine509-15-9

Elsewhere

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