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ethyl 1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidine-4-carboxylate

ethyl 1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidine-4-carboxylate

Formula: C17H20ClNO3

SMILES: CCOC(=O)C1CCN(CC1)C(=O)C=CC1=CC=C(Cl)C=C1

IUPAC: ethyl 1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidine-4-carboxylate

InChI: InChI=1S/C17H20ClNO3/c1-2-22-17(21)14-9-11-19(12-10-14)16(20)8-5-13-3-6-15(18)7-4-13/h3-8,14H,2,9-12H2,1H3/b8-5+

Composition: C (63.45%), H (6.26%), Cl (11.02%), N (4.35%), O (14.92%)

Molar Mass: 321.8

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 321.1131712
Formal Charge 0
FSP3 0.41
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BQBUAIRCHYHCCO-VMPITWQZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.38
Topological Polar Surface Area 46.61
Polarizability 33.46
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H20ClNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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