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1217657-81-2 | 2-Piperazinone, 6-(hydroxymethyl)-1-(phenylmethyl)-, (6R)-
CAS No: 1217657-81-2 Catalog No: AG0015VT MDL No:
Product Description
Catalog Number:
AG0015VT
Chemical Name:
2-Piperazinone, 6-(hydroxymethyl)-1-(phenylmethyl)-, (6R)-
CAS Number:
1217657-81-2
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
(6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-one
InChI:
InChI=1S/C12H16N2O2/c15-9-11-6-13-7-12(16)14(11)8-10-4-2-1-3-5-10/h1-5,11,13,15H,6-9H2/t11-/m1/s1
InChI Key:
GNVFAVLGCLMETR-LLVKDONJSA-N
SMILES:
OC[C@H]1CNCC(=O)N1Cc1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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