chempirical

tert-Butyl 4-((pyridin-4-ylmethyl)amino)piperidine-1-carboxylate

C16H25N3O2CAS 206274-24-0291.39 g/mol

Open in Covalent MOL file
OONNHN
CarbamateSecondary amine

Properties

Molecular formula
C16H25N3O2
Molar mass
291.39 g/mol
Exact mass
291.1947 Da
logP
2.57Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
206274-24-0
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NCC2=CC=NC=C2
InChIKey
KVEICFWHRVQJAL-UHFFFAOYSA-N
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-6-14(7-11-19)18-12-13-4-8-17-9-5-13/h4-5,8-9,14,18H,6-7,10-12H2,1-3H3

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Names and synonyms

1 names
  • 1-N-Boc-4-(4-pyridylmethylamino)piperidine

Work with tert-Butyl 4-((pyridin-4-ylmethyl)amino)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

1-N-Boc-4-(phenylamino)piperidine125541-22-257 % similar 1-Boc-4-methylaminopiperidine147539-41-155 % similar 1-Boc-4-(4-fluoro-phenylamino)-piperidine288573-56-854 % similar 1-Boc-4-(4-bromo-phenylamino)-piperidine443998-65-054 % similar 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-250 % similar 1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9ci)199336-83-950 % similar 1-Boc-3-methylaminopyrrolidine454712-26-650 % similar Tetrt-butyl5-methyl-1,4-diazepane-1-carboxylate194032-42-349 % similar

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

Same formula

2-Amino-4-(4-methylpiperazin-1-yl) benzoic acid tertbutyl ester1034975-35-3

Elsewhere

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