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87693-75-2 | Piperazinone, 4-(cyclohexylcarbonyl)-6-hydroxy-1-(2-phenylethyl)-
CAS No: 87693-75-2 Catalog No: AG004GMA MDL No:
Product Description
Catalog Number:
AG004GMA
Chemical Name:
Piperazinone, 4-(cyclohexylcarbonyl)-6-hydroxy-1-(2-phenylethyl)-
CAS Number:
87693-75-2
Molecular Formula:
C19H26N2O3
Molecular Weight:
330.4213
IUPAC Name:
4-(cyclohexanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one
InChI:
InChI=1S/C19H26N2O3/c22-17-13-20(19(24)16-9-5-2-6-10-16)14-18(23)21(17)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,22H,2,5-6,9-14H2
InChI Key:
URWGVJCAPYTBRW-UHFFFAOYSA-N
SMILES:
OC1CN(CC(=O)N1CCc1ccccc1)C(=O)C1CCCCC1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.428g/mol
Monoisotopic Mass:
330.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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