CC(C)(C)OC(=O)N1CCC(CN)(c2ccc(I)cc2)CC1
名称: 4-aminomethyl-4-(4-iodo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)N1CCC(CN)(c2ccc(I)cc2)CC1

Molecular Processing

Molecular formula
C17H25IN2O2
Molecular weight
416.3
Exact mass
416.0961
XLogP
3.52
TPSA
55.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
96.93

Supplementary Information

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