N-tert-Butoxycarbonyl-4-(4-toluenesulfonyloxymethyl)piperidine

C₁₈H₂₇NO₅SCAS 166815-96-9369.48 g/mol

Open in Covalent MOL file

Carbamate Sulfonate ester

Properties

Molecular formula: C₁₈H₂₇NO₅S
Molar mass: 369.48 g/mol
Exact mass: 369.1610 Da
logP: 3.35Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation55.6% of notifiers
H411 Toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

166815-96-9

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C(=O)OC(C)(C)C

InChIKey

DARTVAOOTJKHQW-UHFFFAOYSA-N

InChI

InChI=1S/C18H27NO5S/c1-14-5-7-16(8-6-14)25(21,22)23-13-15-9-11-19(12-10-15)17(20)24-18(2,3)4/h5-8,15H,9-13H2,1-4H3

Weigh it out

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Names and synonyms

1 names

1-(tert-Butoxycarbonyl)-4-((p-toluenesulfonyloxy)methyl)piperidine

Work with N-tert-Butoxycarbonyl-4-(4-toluenesulfonyloxymethyl)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

1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine118811-07-773 % similar 2-(trans-4-((tert-Butoxycarbonyl)amino)cyclohexyl)ethyl 4-methylbenzenesulfonate2093293-77-554 % similar (4S-Trans)-2,2-Dimethyl-4,5-bis[(4-methylphenylsulfonyloxy)methyl]-1,3-dioxolane37002-45-248 % similar (4R,5R)-4,5-Bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-2,2-dimethyl-[1,3]dioxolane51064-65-448 % similar N-Boc-4-piperidinemethanol123855-51-648 % similar 1-Boc-4-(aminomethyl)piperidine144222-22-048 % similar tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate479057-79-948 % similar 1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine89151-44-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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