Nombre: methyl 2-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-6-methylpyridine-4-carboxylate
SMILES:
CC1=CC(=CC(=N1)N2CCC(C(C2)OC)N)C(=O)OCMolecular Processing
Molecular formula
C14H21N3O3
Molecular weight
279.34
Exact mass
279.1583
XLogP
0.73
TPSA
77.68
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
75.92
Supplementary Information
InChIKey: JVVUYCNEDPVYJR-NWDGAFQWSA-N
Sinónimos
JVVUYCNEDPVYJR-NWDGAFQWSA-NMethyl cis(+/-)-2-(4-amino-3-methoxypiperidin-1-yl)-6-methylpyridine-4-carboxylate
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