tert-butyl 4-(acetamidomethyl)-3-fluoro-4-methylpiperidine-1-carboxylate

tert-butyl 4-(acetamidomethyl)-3-fluoro-4-methylpiperidine-1-carboxylate

CAS: 1400764-45-5

Formula: C14H25FN2O3

SMILES: CC(=O)NCC1(C)CCN(CC1F)C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-(acetamidomethyl)-3-fluoro-4-methylpiperidine-1-carboxylate

InChI: InChI=1/C14H25FN2O3/c1-10(18)16-9-14(5)6-7-17(8-11(14)15)12(19)20-13(2,3)4/h11H,6-9H2,1-5H3,(H,16,18)

Composition: C (58.31%), H (8.74%), F (6.59%), N (9.71%), O (16.64%)

Molar Mass: 288.363

Atom Count: 45

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	288.184920836
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GSRZGIAJWCWOPW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.25
Topological Polar Surface Area	58.64
Polarizability	28.68
Ring Count	1
Rotatable Bond Count	4

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