Name: Name:1,3-Piperidinedicarboxylic acid, 3-methyl-, 3-methyl 1-(phenylmethyl) ester
Brand: Angene
SKU: AG001ZR4
Rating: 90 (10 reviews)

1,3-Piperidinedicarboxylic acid, 3-methyl-, 3-methyl 1-(phenylmethyl) ester

CAS No.:

174543-82-9

Catalog Number:

AG001ZR4

Molecular Formula:

C16H21NO4

Molecular Weight:

291.3422

Catalog Number:

AG001ZR4

Chemical Name:

1,3-Piperidinedicarboxylic acid, 3-methyl-, 3-methyl 1-(phenylmethyl) ester

CAS Number:

174543-82-9

Molecular Formula:

C16H21NO4

Molecular Weight:

291.3422

MDL Number:

MFCD21641310

IUPAC Name:

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

InChI:

InChI=1S/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

InChI Key:

OBQNDANRDMXAIE-UHFFFAOYSA-N

SMILES:

COC(=O)C1(C)CCCN(C1)C(=O)OCc1ccccc1

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.347g/mol

Monoisotopic Mass:

291.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3