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3-[(4-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}piperazin-1-yl)methyl]-1H-indole

3-[(4-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}piperazin-1-yl)methyl]-1H-indole

Formula: C21H27N3

SMILES: C(C1CC2CC1C=C2)N1CCN(CC2=CNC3=CC=CC=C23)CC1

IUPAC: 3-{[4-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)piperazin-1-yl]methyl}-1H-indole

InChI: InChI=1/C21H27N3/c1-2-4-21-20(3-1)19(13-22-21)15-24-9-7-23(8-10-24)14-18-12-16-5-6-17(18)11-16/h1-6,13,16-18,22H,7-12,14-15H2

Composition: C (78.46%), H (8.47%), N (13.07%)

Molar Mass: 321.468

Atom Count: 51

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 321.220497881
Formal Charge 0
FSP3 0.52
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KXTSFORODAANHT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.29
Topological Polar Surface Area 22.27
Polarizability 40.21
Ring Count 5
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H27N3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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