tert-butyl 4-{[1-(tert-butoxycarbonyl)piperidin-4-yl]amino}-3,3-difluoropiperidine-1-carboxylate

tert-butyl 4-{[1-(tert-butoxycarbonyl)piperidin-4-yl]amino}-3,3-difluoropiperidine-1-carboxylate

CAS: 1404196-59-3

Formula: C20H35F2N3O4

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)NC1CCN(CC1(F)F)C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}amino)-3,3-difluoropiperidine-1-carboxylate

InChI: InChI=1/C20H35F2N3O4/c1-18(2,3)28-16(26)24-10-7-14(8-11-24)23-15-9-12-25(13-20(15,21)22)17(27)29-19(4,5)6/h14-15,23H,7-13H2,1-6H3

Composition: C (57.26%), H (8.41%), F (9.06%), N (10.02%), O (15.25%)

Molar Mass: 419.514

Atom Count: 64

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	419.259562945
Formal Charge	0
FSP3	0.9
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MRECHDRIOBTOBZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.8
Topological Polar Surface Area	71.11
Polarizability	40.99
Ring Count	2
Rotatable Bond Count	6

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