C1CC(CN(C1)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3
Name: benzyl 1-benzylpiperidine-3-carboxylate
SMILES: C1CC(CN(C1)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Molecular Processing

Molecular formula
C20H23NO2
Molecular weight
309.41
Exact mass
309.1729
XLogP
3.64
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
90.68

Supplementary Information

InChIKey: XTEYFNYXNPOQOE-UHFFFAOYSA-N
Synonyme
SCHEMBL4518604XTEYFNYXNPOQOE-UHFFFAOYSA-N1-Benzylpiperidine-3-carboxylic acid benzyl ester
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