Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate

C₁₄H₁₉NO₃CAS 122860-33-7249.31 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₄H₁₉NO₃
Molar mass: 249.31 g/mol
Exact mass: 249.1365 Da
logP: 2.03Crippen estimate
Polar surface area: 49.8 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 3 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

122860-33-7

SMILES

C1CN(CCC1CO)C(=O)OCC2=CC=CC=C2

InChIKey

LINIORCIRVAZSM-UHFFFAOYSA-N

InChI

InChI=1S/C14H19NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2

Weigh it out

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

Names and synonyms

1 names

1-Cbz-4-hydroxymethylpiperidine

Work with Benzyl 4-(hydroxymethyl)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)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-085 % similar 4-Aminomethyl-1-N-Cbz-piperidine157023-34-271 % similar N-Benzyloxycarbonyl-4-bromomethylpiperidine159275-17-971 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-571 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-167 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-466 % similar 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-365 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-164 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-tert-Butyl 3-oxo-1-phenylpropylcarbamate135865-78-0 tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate158984-83-9 N-Cbz-4-hydroxycyclohexane16801-62-0 Phenylmethyl 3-(hydroxymethyl)-1-piperidinecarboxylate39945-51-2 tert-Butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate72155-45-4 (R)-(+)-2-(tert-Butoxycarbonylamino)-3-phenylpropanal77119-85-8

Elsewhere

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