Name: Name:1-Piperidinecarboxylic acid, 3-fluoro-4-hydroxy-, phenylmethyl ester, (3R,4S)-
Brand: Angene
SKU: AG000F2I
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 3-fluoro-4-hydroxy-, phenylmethyl ester, (3R,4S)-

CAS No.:

1147112-66-0

Catalog Number:

AG000F2I

Molecular Formula:

C13H16FNO3

Molecular Weight:

253.2694

Catalog Number:

AG000F2I

Chemical Name:

1-Piperidinecarboxylic acid, 3-fluoro-4-hydroxy-, phenylmethyl ester, (3R,4S)-

CAS Number:

1147112-66-0

Molecular Formula:

C13H16FNO3

Molecular Weight:

253.2694

MDL Number:

MFCD18632648

IUPAC Name:

benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate

InChI:

InChI=1S/C13H16FNO3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2/t11-,12+/m1/s1

InChI Key:

RKRKELORNFODMN-NEPJUHHUSA-N

SMILES:

O[C@H]1CCN(C[C@H]1F)C(=O)OCc1ccccc1

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.273g/mol

Monoisotopic Mass:

253.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5