Theophylline, 7-(2-hydroxy-3-piperidinopropyl)- structure

Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-

7-(2-hydroxy-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione

Also Known As: Oprea1_033476|7-(2-Hydroxy-3-piperidinopropyl)theophylline|BAS 06503249|Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-|7-(2-HYDROXY-3-PIPERIDIN-1-YLPROPYL)THEOPHYLLINE|7-(2-hydroxy-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione|7-[2-hydroxy-3-(piperidin-1-yl)propyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[2-hydroxy-3-(piperidin-1-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-(2-Hydroxy-3-(piperidin-1-yl)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-(2-Hydroxy-3-piperidin-1-yl-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

CAS: 7532-45-8
Molecular Formula C15H23N5O3
Molecular Weight 321.18008 g/mol
LogP -0.3
Topological Polar Surface Area 81.9 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 321.18008
Monoisotopic Mass 321.18008
Heavy Atoms 23
Complexity 468.0

Chemical Identifiers

CAS Number 7532-45-8
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCCCC3)O
InChIKey IDTWEVXNTRCGBP-UHFFFAOYSA-N

Product Overview

Theophylline, 7-(2-hydroxy-3-piperidinopropyl)- (CAS 7532-45-8), with molecular formula C15H23N5O3 and molecular weight 321.18008 g/mol. IUPAC: 7-(2-hydroxy-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione.

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