Name: Name:1,4-Piperidinedicarboxylic acid, 4-fluoro-, 1-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]methyl] 4-methyl ester
Brand: Angene
SKU: AG002A69
Rating: 90 (10 reviews)

1,4-Piperidinedicarboxylic acid, 4-fluoro-, 1-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]methyl] 4-methyl ester

CAS No.:

2055839-71-7

Catalog Number:

AG002A69

Molecular Formula:

C19H31FN2O6

Molecular Weight:

402.4576

Catalog Number:

AG002A69

Chemical Name:

1,4-Piperidinedicarboxylic acid, 4-fluoro-, 1-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]methyl] 4-methyl ester

CAS Number:

2055839-71-7

Molecular Formula:

C19H31FN2O6

Molecular Weight:

402.4576

MDL Number:

MFCD30530450

IUPAC Name:

4-O-methyl 1-O-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl] 4-fluoropiperidine-1,4-dicarboxylate

InChI:

InChI=1S/C19H31FN2O6/c1-18(2,3)28-17(25)21-9-5-14(6-10-21)13-27-16(24)22-11-7-19(20,8-12-22)15(23)26-4/h14H,5-13H2,1-4H3

InChI Key:

QWHLQWZETGNVET-UHFFFAOYSA-N

SMILES:

COC(=O)C1(F)CCN(CC1)C(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

576

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

402.217g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

402.463g/mol

Monoisotopic Mass:

402.217g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4