4-Aminomethyl-1-N-Cbz-piperidine

C₁₄H₂₀N₂O₂CAS 157023-34-2248.33 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₄H₂₀N₂O₂
Molar mass: 248.33 g/mol
Exact mass: 248.1525 Da
logP: 1.99Crippen 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

157023-34-2

SMILES

C1CN(CCC1CN)C(=O)OCC2=CC=CC=C2

InChIKey

ABJVEAFRFGTATH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1-Cbz-4-aminomethylpiperidine

Work with 4-Aminomethyl-1-N-Cbz-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

Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-771 % similar N-Benzyloxycarbonyl-4-bromomethylpiperidine159275-17-971 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-171 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-567 % similar 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-365 % similar (S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-064 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-564 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-664 % 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 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 Benzyl 2-(aminomethyl)piperidine-1-carboxylate811842-18-9

Elsewhere

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