chempirical

1,1-Dimethylethyl N-[(3R)-3-piperidinylmethyl]carbamate

C11H22N2O2CAS 879275-33-9214.31 g/mol

Open in Covalent MOL file
OONHNH
Secondary amine

Properties

Molecular formula
C11H22N2O2
Molar mass
214.31 g/mol
Exact mass
214.1681 Da
logP
1.72Crippen estimate
Polar surface area
53.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
879275-33-9
SMILES
CC(C)(C)OC(O)=NC[C@@H]1CCCNC1
InChIKey
KHPQHXGYYXYTDN-SECBINFHSA-N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1

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

Names and synonyms

4 names
  • Carbamic acid, N-[(3R)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, [(3R)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester
  • tert-Butyl (R)-piperidin-3-ylmethylcarbamate
  • (R)-tert-Butyl [[piperidin-3-yl]methyl]carbamate

Work with 1,1-Dimethylethyl N-[(3R)-3-piperidinylmethyl]carbamate

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

1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate454451-28-655 % similar (R)-tert-Butyl pyrrolidin-3-ylcarbamate122536-77-053 % similar 4-(tert-Butoxycarbonylamino)piperidine73874-95-049 % similar tert-Butyl (3-aminopropyl)carbamate75178-96-043 % similar 1,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate163271-08-742 % similar 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate75178-90-442 % similar (S)-7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane127199-45-542 % similar 2-(tert-Butoxycarbonylamino)-7-azaspiro[3.5]nonane147611-03-842 % similar

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

Same formula

4-N-Boc-4-N-methyl-aminopiperidine108612-54-0 4-(Boc-aminomethyl)piperidine135632-53-0 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-6 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-9 tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-4 (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5 tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-0 3-N-Boc-aminomethylpiperidine142643-29-6

Elsewhere

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