1-benzyl 3-methyl 3-methylpiperidine-1,3-dicarboxylate

1-benzyl 3-methyl 3-methylpiperidine-1,3-dicarboxylate

CAS: 174543-82-9

Formula: C16H21NO4

SMILES: COC(=O)C1(C)CCCN(C1)C(=O)OCC1=CC=CC=C1

IUPAC: 1-benzyl 3-methyl 3-methylpiperidine-1,3-dicarboxylate

InChI: InChI=1/C16H21NO4/c1-16(14(18)20-2)9-6-10-17(12-16)15(19)21-11-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3

Composition: C (65.96%), H (7.27%), N (4.81%), O (21.97%)

Molar Mass: 291.347

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	291.14705816
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OBQNDANRDMXAIE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.99
Topological Polar Surface Area	55.84
Polarizability	30.69
Ring Count	2
Rotatable Bond Count	5

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