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S-15535

CAT: 0013-GTR19197246-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197246-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S-15535
CAS Number
146998-34-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.13% (May vary between batches)
Smiles
O1C2=CC=CC (=C2OCC1) N3CCN (CC3) C4CC=5C=CC=CC5C4
Molecular Formula
C21H24N2O2
Molecular Weight
336.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
CAS Number146998-34-7
PubChem CID132787
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
Molecular FormulaC21H24N2O2
Molecular Weight336.4
XLogP3.6
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity437
SMILES
C1CN(CCN1C2CC3=CC=CC=C3C2)C4=C5C(=CC=C4)OCCO5
InChI
InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2
InChIKey
QJPPEMXOOWNICQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
CAS: 146998-34-7
CID: 132787
Formula: C21H24N2O2
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass336.183778013
Monoisotopic Mass336.183778013
Topological Polar Surface Area24.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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