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[(2R)-1-piperidin-1-ylpropan-2-yl] (E)-3-phenylprop-2-enoate,Canonica

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摘 要: [(2R)-1-piperidin-1-ylpropan-2-yl] (E)-3-phenylprop-2-enoate,Canonical SMILES: CC(CN1CCCCC1)OC(=O)C=CC2=CC=CC=C2,Isomeric SMILES: C[C@H](CN1CCCCC1)OC(=O)\C=C\C2=CC=CC=C2,InChI: InChI=1/C17H23NO2/c1-15(14-18-12-6-3-7-13-18)20-17(19)11-10-16-8-4-2-5-,
[Synonyms]

[Structure]
 [(2R)-1-piperidin-1-ylpropan-2-yl] (E)-3-phenylprop-2-enoate,Canonica

[ Properties Computed from Structure]
Molecular Weight273.37002 [g/mol]
Molecular FormulaC17H23NO2
XLogP3.4
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count6
Exact Mass273.172879
MonoIsotopic Mass273.172879
Topological Polar Surface Area29.5
Heavy Atom Count20
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [(2R)-1-piperidin-1-ylpropan-2-yl] (E)-3-phenylprop-2-enoate
Canonical SMILES: CC(CN1CCCCC1)OC(=O)C=CC2=CC=CC=C2
Isomeric SMILES: C[C@H](CN1CCCCC1)OC(=O)\C=C\C2=CC=CC=C2
InChI: InChI=1/C17H23NO2/c1-15(14-18-12-6-3-7-13-18)20-17(19)11-10-16-8-4-2-5-
9-16/h2,4-5,8-11,15H,3,6-7,12-14H2,1H3/b11-10+/t15-/m1/s1

 
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