CC1(C(C2=C(O1)C(=CC=C2)O)N3CCCCC3)C
名称: 2,2-dimethyl-3-piperidin-1-yl-3H-1-benzofuran-7-ol
SMILES: CC1(C(C2=C(O1)C(=CC=C2)O)N3CCCCC3)C

Molecular Processing

Molecular formula
C15H21NO2
Molecular weight
247.34
Exact mass
247.1572
XLogP
3.09
TPSA
32.7
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
70.98

Supplementary Information

InChIKey: OUWAFGZKFXHRAR-UHFFFAOYSA-N
同義語
SCHEMBL10641023OUWAFGZKFXHRAR-UHFFFAOYSA-N7-Hydroxy-3-piperidino-2,2-dimethylbenzofuran
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