C#CCC1CCN(C(=O)Oc2ccc(OC)cc2)CC1
Name: (4-methoxyphenyl) 4-prop-2-ynylpiperidine-1-carboxylate
SMILES: C#CCC1CCN(C(=O)Oc2ccc(OC)cc2)CC1

Molecular Processing

Molecular formula
C16H19NO3
Molecular weight
273.33
Exact mass
273.1365
XLogP
2.93
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
76.77

Supplementary Information

InChIKey: KKBFWALEKBXUFL-UHFFFAOYSA-N
Synonyme
SCHEMBL1242967KKBFWALEKBXUFL-UHFFFAOYSA-N4-methoxyphenyl 4-(prop-2-ynyl)piperidine-1-carboxylate4-(methoxy)phenyl 4-(prop-2-ynyl)piperidine-1-carboxylate
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