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tert-butyl 4-carbamoyl-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylate

tert-butyl 4-carbamoyl-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylate

CAS: 906329-65-5

Formula: C18H25FN2O3

SMILES: CC(C)(C)OC(=O)N1CCC(CC2=CC=C(F)C=C2)(CC1)C(N)=O

IUPAC: tert-butyl 4-carbamoyl-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylate

InChI: InChI=1S/C18H25FN2O3/c1-17(2,3)24-16(23)21-10-8-18(9-11-21,15(20)22)12-13-4-6-14(19)7-5-13/h4-7H,8-12H2,1-3H3,(H2,20,22)

Composition: C (64.27%), H (7.49%), F (5.65%), N (8.33%), O (14.27%)

Molar Mass: 336.407

Atom Count: 49

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 336.184920836
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZWDISLXAHVMDAV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.31
Topological Polar Surface Area 72.63
Polarizability 34.5
Ring Count 2
Rotatable Bond Count 5

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Purity (%)
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Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 906329-65-5 Quote Only
Shanghai AQ BioPharma Co., Ltd.
Purity LeadTime CAS PacketSize UnitPrice
95% <8 Days 906329-65-5 $291.43-$4,196.57$291.43$874.29$1,398.86$2,622.86$4,196.57
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