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1-{1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carbonyl}azepane

1-{1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carbonyl}azepane

Formula: C21H32N2O3

SMILES: COC1=CC=CC(CN2CCCC(C2)C(=O)N2CCCCCC2)=C1OC

IUPAC: 1-{1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carbonyl}azepane

InChI: InChI=1/C21H32N2O3/c1-25-19-11-7-9-17(20(19)26-2)15-22-12-8-10-18(16-22)21(24)23-13-5-3-4-6-14-23/h7,9,11,18H,3-6,8,10,12-16H2,1-2H3

Composition: C (69.97%), H (8.95%), N (7.77%), O (13.31%)

Molar Mass: 360.498

Atom Count: 58

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 360.241292898
Formal Charge 0
FSP3 0.67
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey WYIHWULPTDPCBO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.11
Topological Polar Surface Area 42.01
Polarizability 40.58
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H32N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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