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tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)piperidine-1-carboxylate; tert-butyl (3S,4S)-3-hydroxy-4-(methylamino)piperidine-1-carboxylate

tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)piperidine-1-carboxylate; tert-butyl (3S,4S)-3-hydroxy-4-(methylamino)piperidine-1-carboxylate

CAS: 933477-84-0

Formula: C22H44N4O6

SMILES: CN[C@@H]1CCN(C[C@H]1O)C(=O)OC(C)(C)C.CN[C@H]1CCN(C[C@@H]1O)C(=O)OC(C)(C)C

IUPAC: tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)piperidine-1-carboxylate; tert-butyl (3S,4S)-3-hydroxy-4-(methylamino)piperidine-1-carboxylate

InChI: InChI=1S/2C11H22N2O3/c2*1-11(2,3)16-10(15)13-6-5-8(12-4)9(14)7-13/h2*8-9,12,14H,5-7H2,1-4H3/t2*8-,9-/m10/s1

Composition: C (57.37%), H (9.63%), N (12.16%), O (20.84%)

Molar Mass: 460.616

Atom Count: 76

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 460.326085153
Formal Charge 0
FSP3 0.91
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FKKJYCVHAGBMDM-MFBWXLJUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.94
Topological Polar Surface Area 61.8
Polarizability 24.34
Ring Count 2
Rotatable Bond Count 6

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