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1-(2H-1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]piperazine

1-(2H-1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]piperazine

Formula: C19H21ClN2O2

SMILES: ClC1=CC=C(CN2CCN(CC3=CC=C4OCOC4=C3)CC2)C=C1

IUPAC: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]piperazine

InChI: InChI=1S/C19H21ClN2O2/c20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)24-14-23-18/h1-6,11H,7-10,12-14H2

Composition: C (66.18%), H (6.14%), Cl (10.28%), N (8.12%), O (9.28%)

Molar Mass: 344.84

Atom Count: 45

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 344.1291556
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey TUQOIZSCSKHURN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.84
Topological Polar Surface Area 24.94
Polarizability 37.61
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H21ClN2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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