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1-{1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl}azepane

1-{1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl}azepane

Formula: C20H32N2O2

SMILES: COC1=CC=C(CN2CCC(CC2)N2CCCCCC2)C(OC)=C1

IUPAC: 1-{1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl}azepane

InChI: InChI=1S/C20H32N2O2/c1-23-19-8-7-17(20(15-19)24-2)16-21-13-9-18(10-14-21)22-11-5-3-4-6-12-22/h7-8,15,18H,3-6,9-14,16H2,1-2H3

Composition: C (72.25%), H (9.70%), N (8.43%), O (9.62%)

Molar Mass: 332.488

Atom Count: 56

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 332.246378278
Formal Charge 0
FSP3 0.7
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey AZJUPOOOQKUGQB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.72
Topological Polar Surface Area 24.94
Polarizability 39.07
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H32N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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