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1013333-20-4 | 4-Piperidinecarbonitrile, 3-hydroxy-1-(phenylmethyl)-, (3R,4R)-rel-
CAS No: 1013333-20-4 Catalog No: AG000493 MDL No:MFCD23703764
Product Description
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
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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