N-Cbz-4-hydroxycyclohexane

C14H19NO3CAS 16801-62-0249.31 g/mol

Open in Covalent MOL file
NHOOOH
AlcoholCarbamate

Properties

Molecular formula
C14H19NO3
Molar mass
249.31 g/mol
Exact mass
249.1365 Da
logP
2.22Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
16801-62-0
SMILES
C1CC(CCC1NC(=O)OCC2=CC=CC=C2)O
InChIKey
JNPBKQOVSMBPGE-UHFFFAOYSA-N
InChI
InChI=1S/C14H19NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)

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Names and synonyms

1 names
  • 4-(Z-Amino)cyclohexanol

Work with N-Cbz-4-hydroxycyclohexane

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-N-Cbz-trans-1,4-cyclohexyldiamine149423-77-870 % similar 4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid34771-04-569 % similar 4-N-Cbz-cyclohexanone16801-63-168 % similar 3-(Cbz-amino)-azetidine914348-04-264 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-763 % similar (S)-3-N-Cbz-aminopyrrolidine176970-12-062 % similar Cbz-D-phenylalaninol58917-85-462 % similar (S)-Cbz-phenylalaninol6372-14-162 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-7 (S)-tert-Butyl 3-oxo-1-phenylpropylcarbamate135865-78-0 tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate158984-83-9 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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