(R)-3-Amino-1-N-cbz-piperidine

C₁₃H₁₈N₂O₂CAS 1044560-96-4234.30 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₃H₁₈N₂O₂
Molar mass: 234.30 g/mol
Exact mass: 234.1368 Da
logP: 1.75Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1044560-96-4

SMILES

C1C[C@H](CN(C1)C(=O)OCC2=CC=CC=C2)N

InChIKey

PBFBPDLWODIXHK-GFCCVEGCSA-N

InChI

InChI=1S/C13H18N2O2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2/t12-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(R)-1-Cbz-3-aminopiperidine

Work with (R)-3-Amino-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

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.

Phenylmethyl 3-amino-1-piperidinecarboxylate711002-74-3Stereo not defined

Similar compounds

(S)-1-Cbz-3-aminopyrrolidine122536-72-585 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-685 % similar Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-585 % similar (S)-1-Cbz-3-aminopyrrolidine hydrochloride550378-39-779 % similar (R)-1-Cbz-3-aminopyrrolidine hydrochloride870621-17-379 % similar Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-275 % similar Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate315717-76-170 % similar 1-N-Cbz-3-hydroxy-piperidine95798-22-469 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Methyl-1-piperazinylmethyl)benzoic acid106261-48-7 Benzyl 1,4-diazepane-1-carboxylate117009-97-9 (S)-2-(Aminomethyl)-1-cbz-pyrrolidine119020-03-0 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-1 Lenacil2164-08-1 3-Cbz-aminopiperidine hcl31648-54-1 Phenylmethyl (3S)-3-methyl-1-piperazinecarboxylate612493-87-5

Elsewhere

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