Name: 4-(3-Hydroxy-prop-1-ynyl)-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(C#CCO)CC1Molecular Processing
Molecular formula
C13H21NO3
Molecular weight
239.31
Exact mass
239.1521
XLogP
1.63
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
65.39
Supplementary Information
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