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

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

Formula: C18H27FN2

SMILES: FC1=CC=CC=C1CN1CCC(CC1)N1CCCCCC1

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

InChI: InChI=1S/C18H27FN2/c19-18-8-4-3-7-16(18)15-20-13-9-17(10-14-20)21-11-5-1-2-6-12-21/h3-4,7-8,17H,1-2,5-6,9-15H2

Composition: C (74.44%), H (9.37%), F (6.54%), N (9.65%)

Molar Mass: 290.426

Atom Count: 48

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 290.21582704
Formal Charge 0
FSP3 0.67
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PMWXHDWMZBAWFE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.01
Topological Polar Surface Area 6.48
Polarizability 33.67
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H27FN2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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