4-[(1,1-Dimethylethoxy)carbonyl]-α-phenyl-1-piperazineacetic acid

C17H24N2O4CAS 347186-49-6320.39 g/mol

Open in Covalent MOL file
OONNOHO
CarbamateCarboxylic acidTertiary amine

Properties

Molecular formula
C17H24N2O4
Molar mass
320.39 g/mol
Exact mass
320.1736 Da
logP
2.37Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
347186-49-6
SMILES
CC(C)(C)OC(=O)N1CCN(C(C(=O)O)c2ccccc2)CC1
InChIKey
QPEHPIVVAWESTM-UHFFFAOYSA-N
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19)14(15(20)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)

Weigh it out

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

Names and synonyms

4 names
  • 1-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-α-phenyl-
  • 2-[4-[(tert-Butyl)oxycarbonyl]piperazinyl]-2-phenylacetic acid
  • 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-phenylaceticacid
  • 2-(4-Boc-piperazinyl)-2-phenylacetic acid

Work with 4-[(1,1-Dimethylethoxy)carbonyl]-α-phenyl-1-piperazineacetic acid

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

Morpholin-4-yl-phenyl-acetic acid6342-19-457 % similar 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-354 % similar N-Boc-piperidine-4-carboxylic acid84358-13-454 % similar tert-Butyl 4-benzylpiperazine-1-carboxylate57260-70-554 % similar Boc-N-methyl-L-phenylalanine37553-65-452 % similar tert-Butyl 3-phenylpiperazine-1-carboxylate502649-25-452 % similar N-Boc-N-methyl-D-phenylalanine85466-66-652 % similar (4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid143527-70-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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