1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate

C11H22N2O2CAS 139004-96-9214.31 g/mol

Open in Covalent MOL file
OONHHN
Secondary amine

Properties

Molecular formula
C11H22N2O2
Molar mass
214.31 g/mol
Exact mass
214.1681 Da
logP
1.86Crippen estimate
Polar surface area
53.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
139004-96-9
SMILES
CC(C)(C)OC(O)=NC[C@H]1CCCCN1
InChIKey
DIRUVVRMWMDZAE-SECBINFHSA-N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1

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Names and synonyms

3 names
  • Carbamic acid, N-[(2R)-2-piperidinylmethyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, (2-piperidinylmethyl)-, 1,1-dimethylethyl ester, (R)-
  • (R)-tert-Butyl(piperidin-2-ylmethyl)carbamate

Work with 1,1-Dimethylethyl N-[(2R)-2-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

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.

1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-6Enantiomer tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-0Stereo not defined

Similar compounds

1,1-Dimethylethyl N-[(3R)-3-piperidinylmethyl]carbamate879275-33-957 % similar 4-(N-Boc-amino)piperidine73874-95-047 % similar L-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)15098-69-846 % similar 1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate454451-28-646 % similar (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-044 % similar 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-644 % similar tert-Butyl (3-aminopropyl)carbamate75178-96-044 % similar 2-Boc-aminomethylpyrrolidine149649-58-143 % 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 tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-4 (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5 3-N-Boc-aminomethylpiperidine142643-29-6 1-Boc-4-(aminomethyl)piperidine144222-22-0

Elsewhere

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