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

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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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

Similar compounds

tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-684 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-571 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-363 % similar (S)-tert-Butyl 3-aminopiperidine-1-carboxylate625471-18-362 % similar 1-Boc-piperidine-3-carboxaldehyde118156-93-760 % similar 2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester135065-69-959 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-158 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-958 % 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-piperidine-3-methanol116574-71-1 N-Boc-4-piperidinemethanol123855-51-6 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-0 tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-7 Ethyl butylacetylaminopropionate52304-36-6 Boc-leucinal58521-45-2

Elsewhere

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