Name: Name:4-Piperidinecarbonitrile, 3-hydroxy-1-(phenylmethyl)-, (3R,4R)-rel-
Brand: Angene
SKU: AG000493
Rating: 90 (10 reviews)

4-Piperidinecarbonitrile, 3-hydroxy-1-(phenylmethyl)-, (3R,4R)-rel-

CAS No.:

1013333-20-4

Catalog Number:

AG000493

Molecular Formula:

C13H16N2O

Molecular Weight:

216.2789

Catalog Number:

AG000493

Chemical Name:

4-Piperidinecarbonitrile, 3-hydroxy-1-(phenylmethyl)-, (3R,4R)-rel-

CAS Number:

1013333-20-4

Molecular Formula:

C13H16N2O

Molecular Weight:

216.2789

MDL Number:

MFCD23703764

IUPAC Name:

(3R,4R)-1-benzyl-3-hydroxypiperidine-4-carbonitrile

InChI:

InChI=1S/C13H16N2O/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-7,9-10H2/t12-,13+/m1/s1

InChI Key:

XZYDMOVDIBVPOL-OLZOCXBDSA-N

SMILES:

N#C[C@H]1CCN(C[C@@H]1O)Cc1ccccc1

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.284g/mol

Monoisotopic Mass:

216.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5