tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate

C₁₁H₂₁NO₃CAS 140695-85-8215.29 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₁H₂₁NO₃
Molar mass: 215.29 g/mol
Exact mass: 215.1521 Da
logP: 1.63Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

140695-85-8

SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)CO

InChIKey

OJCLHERKFHHUTB-SECBINFHSA-N

InChI

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-5-9(7-12)8-13/h9,13H,4-8H2,1-3H3/t9-/m1/s1

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

Names and synonyms

1 names

(R)-1-Boc-3-(hyroxymethyl)piperidine

Work with tert-Butyl (3R)-3-(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

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.

tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-7Enantiomer N-Boc-piperidine-3-methanol116574-71-1Stereo not defined

Similar compounds

tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-684 % similar tert-Butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate138108-72-284 % similar (S)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester199174-24-884 % similar tert-Butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate146667-84-779 % similar 1-Boc-azetidine-3-ylmethanol142253-56-373 % similar tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-471 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-571 % similar 1-Boc-3-(aminomethyl)piperidine162167-97-771 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl 3-hydroxy-3-methyl-1-piperidinecarboxylate1104083-27-3 Boc-trans-4-aminocyclohexanol111300-06-2 N-Boc-4-piperidinemethanol123855-51-6 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-0 N-Boc-piperidine-2-methanol157634-00-9 tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-6

Elsewhere

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