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(2R)-1-indol-1-yl-3-piperidin-1-ylpropan-2-ol,Canonical SMILES: C1CCN

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摘 要: (2R)-1-indol-1-yl-3-piperidin-1-ylpropan-2-ol,Canonical SMILES: C1CCN(CC1)CC(CN2C=CC3=CC=CC=C32)O,Isomeric SMILES: C1CCN(CC1)C[C@H](CN2C=CC3=CC=CC=C32)O,InChI: InChI=1/C16H22N2O/c19-15(12-17-9-4-1-5-10-17)13-18-11-8-14-6-2-3-7-16,(14)18/h2-3,6-8,11,
[Synonyms]

[Structure]
 (2R)-1-indol-1-yl-3-piperidin-1-ylpropan-2-ol,Canonical SMILES: C1CCN

[ Properties Computed from Structure]
Molecular Weight258.35868 [g/mol]
Molecular FormulaC16H22N2O
XLogP2.5
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass258.173213
MonoIsotopic Mass258.173213
Topological Polar Surface Area28.4
Heavy Atom Count19
Formal Charge0
Complexity278
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R)-1-indol-1-yl-3-piperidin-1-ylpropan-2-ol
Canonical SMILES: C1CCN(CC1)CC(CN2C=CC3=CC=CC=C32)O
Isomeric SMILES: C1CCN(CC1)C[C@H](CN2C=CC3=CC=CC=C32)O
InChI: InChI=1/C16H22N2O/c19-15(12-17-9-4-1-5-10-17)13-18-11-8-14-6-2-3-7-16
(14)18/h2-3,6-8,11,15,19H,1,4-5,9-10,12-13H2/t15-/m1/s1

 
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