1-tert-butyl 4-ethyl 4-[(4-fluorophenyl)methyl]piperidine-1,4-dicarboxylate

1-tert-butyl 4-ethyl 4-[(4-fluorophenyl)methyl]piperidine-1,4-dicarboxylate

CAS: 917755-77-2

Formula: C20H28FNO4

SMILES: CCOC(=O)C1(CC2=CC=C(F)C=C2)CCN(CC1)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 4-ethyl 4-[(4-fluorophenyl)methyl]piperidine-1,4-dicarboxylate

InChI: InChI=1S/C20H28FNO4/c1-5-25-17(23)20(14-15-6-8-16(21)9-7-15)10-12-22(13-11-20)18(24)26-19(2,3)4/h6-9H,5,10-14H2,1-4H3

Composition: C (65.73%), H (7.72%), F (5.20%), N (3.83%), O (17.51%)

Molar Mass: 365.445

Atom Count: 54

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	365.200236549
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KIIYXHXWARGQKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97
Topological Polar Surface Area	55.84
Polarizability	37.74
Ring Count	2
Rotatable Bond Count	7

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