Name: Name:Cis-benzyl 2-(hydroxymethyl)-3-(trifluoromethyl)piperidine-1-carboxylate
Brand: Angene
SKU: AG00I35L
Rating: 90 (10 reviews)

Cis-benzyl 2-(hydroxymethyl)-3-(trifluoromethyl)piperidine-1-carboxylate

CAS No.:

1951439-30-7

Catalog Number:

AG00I35L

Molecular Formula:

C15H18F3NO3

Molecular Weight:

317.3035

Catalog Number:

AG00I35L

Chemical Name:

Cis-benzyl 2-(hydroxymethyl)-3-(trifluoromethyl)piperidine-1-carboxylate

CAS Number:

1951439-30-7

Molecular Formula:

C15H18F3NO3

Molecular Weight:

317.3035

MDL Number:

MFCD28119212

IUPAC Name:

benzyl 2-(hydroxymethyl)-3-(trifluoromethyl)piperidine-1-carboxylate

InChI:

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

InChI Key:

QBMJXNIZYDIUTM-UHFFFAOYSA-N

SMILES:

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

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