Benzyl 2-(aminomethyl)piperidine-1-carboxylate

C₁₄H₂₀N₂O₂CAS 811842-18-9248.33 g/mol

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Carbamate Primary amine

Properties

Molecular formula: C₁₄H₂₀N₂O₂
Molar mass: 248.33 g/mol
Exact mass: 248.1525 Da
logP: 2.14Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

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

Identifiers

CAS number

811842-18-9

SMILES

C1CCN(C(C1)CN)C(=O)OCC2=CC=CC=C2

InChIKey

WCYNFVPSBDRYJU-UHFFFAOYSA-N

InChI

InChI=1S/C14H20N2O2/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,15H2

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Names and synonyms

1 names

2-Aminomethyl-piperidine-1-carboxylic acid benzyl ester

Work with Benzyl 2-(aminomethyl)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)-2-(Aminomethyl)-1-cbz-pyrrolidine119020-03-093 % similar Cbz-L-prolinol6216-63-367 % similar 1-Cbz-2-piperidinecarboxylic acid28697-07-661 % similar (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-861 % similar 1-Carbobenzoxy-2-piperidinecarboxylic Acid71170-88-261 % similar (S)-1-N-Cbz-prolinamide34079-31-759 % similar Benzyloxycarbonyl-L-proline1148-11-456 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate1001401-60-0 Pindolol13523-86-9 1-N-Cbz-trans-1,4-cyclohexyldiamine149423-77-8 4-Aminomethyl-1-N-Cbz-piperidine157023-34-2 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-9 tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-5 Methyl 4-((4-methylpiperazin-1-yl)methyl)benzoate314268-40-1 Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate315717-76-1

Elsewhere

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