1-tert-butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate

1-tert-butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate

CAS: 362703-34-2

Formula: C13H20N2O4

SMILES: COC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C#N

IUPAC: 1-tert-butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate

InChI: InChI=1S/C13H20N2O4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-8H2,1-4H3

Composition: C (58.19%), H (7.51%), N (10.44%), O (23.85%)

Molar Mass: 268.313

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	268.142307132
Formal Charge	0
FSP3	0.77
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BNHQNHASKIVGOW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.04
Topological Polar Surface Area	79.63
Polarizability	26.54
Ring Count	1
Rotatable Bond Count	4

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