chempirical

tert-Butyl 4-(3-hydroxypropyl)tetrahydro-1(2H)-pyridinecarboxylate

C13H25NO3CAS 156185-63-6243.35 g/mol

Open in Covalent MOL file
OONOH
AlcoholCarbamate

Properties

Molecular formula
C13H25NO3
Molar mass
243.35 g/mol
Exact mass
243.1834 Da
logP
2.41Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
156185-63-6
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCCO
InChIKey
OXPWHPCCUXESFQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-6-11(7-9-14)5-4-10-15/h11,15H,4-10H2,1-3H3

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Work with tert-Butyl 4-(3-hydroxypropyl)tetrahydro-1(2H)-pyridinecarboxylate

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

N-Boc-4-piperidinemethanol123855-51-671 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-663 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-262 % similar N-Boc-piperidine-3-methanol116574-71-160 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-958 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-757 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-857 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Boc-L-cyclohexylglycinol107202-39-1 1,1-Dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate917342-29-1

Elsewhere

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