chempirical

4-N-Boc-amino-cyclohexanol

C11H21NO3CAS 224309-64-2215.29 g/mol

Open in Covalent MOL file
OOHNOH
AlcoholCarbamate

Properties

Molecular formula
C11H21NO3
Molar mass
215.29 g/mol
Exact mass
215.1521 Da
logP
1.81Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
224309-64-2
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)O
InChIKey
DQARDWKWPIRJEH-UHFFFAOYSA-N
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)

Weigh it out

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

Names and synonyms

1 names
  • cis-4-(tert-Butoxycarbonylamino)cyclohexanol

Work with 4-N-Boc-amino-cyclohexanol

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.

Boc-trans-4-aminocyclohexanol111300-06-2 tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-6

Similar compounds

rac-tert-Butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate207729-04-282 % similar tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-468 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate177906-48-867 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate247570-24-767 % similar exo-3-Boc-aminotropane132234-68-564 % similar tert-Butyl N-(4-oxocyclohexyl)carbamate179321-49-464 % similar rac-tert-Butyl N-[(1r,4r)-4-formylcyclohexyl]carbamate181308-57-663 % similar Boc-1,4-trans-acha-oh189153-10-463 % 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 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 tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-8 N-Boc-piperidine-2-methanol157634-00-9

Elsewhere

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