Input interpretation
ethyl N-boc-piperidine-4-carboxylate
Chemical names and formulas
formula | C_13H_23NO_4 name | ethyl N-boc-piperidine-4-carboxylate IUPAC name | piperidine-1, 4-dicarboxylic acid O1-tert-butyl O4-ethyl ester alternate names | ethyl 1-(tert-butoxycarbonyl)-4-piperidinecarboxylate | ethyl 1-(tert-butyloxycarbonyl)isonipecotate | O1-tert-butyl O4-ethylpiperidine-1, 4-dicarboxylate | piperidine-1, 4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester | piperidine-1, 4-dicarboxylic acid O1-tert-butyl O4-ethyl ester mass fractions | C (carbon) 60.7% | H (hydrogen) 9.01% | N (nitrogen) 5.44% | O (oxygen) 24.9%
Lewis structure
Draw the Lewis structure of ethyl N-boc-piperidine-4-carboxylate. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), nitrogen (n_N, val = 5), and oxygen (n_O, val = 6) atoms: 13 n_C, val + 23 n_H, val + n_N, val + 4 n_O, val = 104 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), nitrogen (n_N, full = 8), and oxygen (n_O, full = 8): 13 n_C, full + 23 n_H, full + n_N, full + 4 n_O, full = 190 Subtracting these two numbers shows that 190 - 104 = 86 bonding electrons are needed. Each bond has two electrons, so in addition to the 41 bonds already present in the diagram add 2 bonds. To minimize formal charge oxygen wants 2 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 2 bonds by pairing electrons between adjacent highlighted atoms: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 257.33 g/mol phase | liquid (at STP) boiling point | 127.5 °C (measured at 66.65 Pa) density | 1.046 g/cm^3
Units
Liquid properties (at STP)
density | 1.046 g/cm^3 refractive index | 1.458
Units
Chemical identifiers
CAS number | 142851-03-4 PubChem CID number | 2758812 PubChem SID number | 24884718 SMILES identifier | CCOC(=O)C1CCN(CC1)C(=O)OC(C)(C)C InChI identifier | InChI=1/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)12(16)18-13(2, 3)4/h10H, 5-9H2, 1-4H3 MDL number | MFCD01763998
Safety properties
flash point | 110 °C