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1-[1-(3-phenylpropyl)piperidine-3-carbonyl]azepane

1-[1-(3-phenylpropyl)piperidine-3-carbonyl]azepane

Formula: C21H32N2O

SMILES: O=C(C1CCCN(CCCC2=CC=CC=C2)C1)N1CCCCCC1

IUPAC: 1-[1-(3-phenylpropyl)piperidine-3-carbonyl]azepane

InChI: InChI=1/C21H32N2O/c24-21(23-16-6-1-2-7-17-23)20-13-9-15-22(18-20)14-8-12-19-10-4-3-5-11-19/h3-5,10-11,20H,1-2,6-9,12-18H2

Composition: C (76.78%), H (9.82%), N (8.53%), O (4.87%)

Molar Mass: 328.5

Atom Count: 56

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 328.251463658
Formal Charge 0
FSP3 0.67
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NZRUILYHRIXQRG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.54
Topological Polar Surface Area 23.55
Polarizability 39.18
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H32N2O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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