CC(CC(=O)OC)N1CCN(CC1)C2=CC=C(C=C2)O
Название: methyl 3-[4-(4-hydroxyphenyl)piperazin-1-yl]butanoate
SMILES: CC(CC(=O)OC)N1CCN(CC1)C2=CC=C(C=C2)O

Molecular Processing

Molecular formula
C15H22N2O3
Molecular weight
278.35
Exact mass
278.163
XLogP
1.47
TPSA
53.01
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
77.99

Supplementary Information

InChIKey: BWXUHGRXUQTLLW-UHFFFAOYSA-N
Синонимы
SCHEMBL2898238BWXUHGRXUQTLLW-UHFFFAOYSA-N3-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyric acid methyl ester
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