CC(C)(C)OC(=O)N1CCC(CC1)(CN(CC2=CC=CC=C2)C(C)(C)CO)O
CAS: 1400645-45-5
Nombre: tert-butyl 4-[[benzyl-(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-hydroxypiperidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(CN(CC2=CC=CC=C2)C(C)(C)CO)O

Molecular Processing

Molecular formula
C22H36N2O4
Molecular weight
392.54
Exact mass
392.2675
XLogP
3.02
TPSA
73.24
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
110.01

Supplementary Information

InChIKey: MXSRIVQBDQRAFA-UHFFFAOYSA-N
Sinónimos
SCHEMBL13277303MXSRIVQBDQRAFA-UHFFFAOYSA-NDB-1541551400645-45-54-Hydroxy-4-[[(2-hydroxy-1,1-dimethylethyl)(phenylmethyl)amino]methyl]-1-piperidinecarboxylic acid 1,1-dimethylethyl estertert-butyl 4-((benzyl(1-hydroxy-2-methylpropan-2-yl)amino)methyl)-4-hydroxypiperidine-1-carboxylatetert-butyl 4-[[benzyl-(2-hydroxy-1,1-dimethyl-ethyl)amino]methyl]-4-hydroxy-piperidine-1-carboxylate
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