1-tert-butyl 3-methyl piperidine-1,3-dicarboxylate

1-tert-butyl 3-methyl piperidine-1,3-dicarboxylate

CAS: 148763-41-1

Formula: C12H21NO4

SMILES: COC(=O)C1CCCN(C1)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 3-methyl piperidine-1,3-dicarboxylate

InChI: InChI=1/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-6-9(8-13)10(14)16-4/h9H,5-8H2,1-4H3

Composition: C (59.24%), H (8.70%), N (5.76%), O (26.30%)

Molar Mass: 243.303

Atom Count: 38

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	243.14705816
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LYYJQMCPEHXOEW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.69
Topological Polar Surface Area	55.84
Polarizability	24.82
Ring Count	1
Rotatable Bond Count	4

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