Name: Name:Cis-benzyl 5-(hydroxymethyl)-2-(trifluoromethyl)piperidine-1-carboxylate
Brand: Angene
SKU: AG00I35N
Rating: 90 (10 reviews)

Cis-benzyl 5-(hydroxymethyl)-2-(trifluoromethyl)piperidine-1-carboxylate

CAS No.:

1951439-32-9

Catalog Number:

AG00I35N

Molecular Formula:

C15H18F3NO3

Molecular Weight:

317.3035

Catalog Number:

AG00I35N

Chemical Name:

Cis-benzyl 5-(hydroxymethyl)-2-(trifluoromethyl)piperidine-1-carboxylate

CAS Number:

1951439-32-9

Molecular Formula:

C15H18F3NO3

Molecular Weight:

317.3035

MDL Number:

MFCD28119209

IUPAC Name:

benzyl (2R,5R)-5-(hydroxymethyl)-2-(trifluoromethyl)piperidine-1-carboxylate

InChI:

InChI=1S/C15H18F3NO3/c16-15(17,18)13-7-6-12(9-20)8-19(13)14(21)22-10-11-4-2-1-3-5-11/h1-5,12-13,20H,6-10H2/t12-,13-/m1/s1

InChI Key:

NCKZYIHLZZGRGW-CHWSQXEVSA-N

SMILES:

OC[C@@H]1CC[C@@H](N(C1)C(=O)OCc1ccccc1)C(F)(F)F

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.124g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.308g/mol

Monoisotopic Mass:

317.124g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9