C#CC1CCN(C(=O)OC(C)(C)C)CC1
Name: tert-butyl 4-ethynylpiperidine-1-carboxylate
SMILES: C#CC1CCN(C(=O)OC(C)(C)C)CC1

Molecular Processing

Molecular formula
C12H19NO2
Molecular weight
209.29
Exact mass
209.1416
XLogP
2.27
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
59.36

Supplementary Information

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