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163858-61-5 | Ethanone, 1-[2-[2-hydroxy-3-(1-piperidinyl)propoxy]phenyl]-
CAS No: 163858-61-5 Catalog No: AG001UFW MDL No:
Product Description
Catalog Number:
AG001UFW
Chemical Name:
Ethanone, 1-[2-[2-hydroxy-3-(1-piperidinyl)propoxy]phenyl]-
CAS Number:
163858-61-5
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
IUPAC Name:
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C16H23NO3/c1-13(18)15-7-3-4-8-16(15)20-12-14(19)11-17-9-5-2-6-10-17/h3-4,7-8,14,19H,2,5-6,9-12H2,1H3
InChI Key:
CKFCUQCADGWOMJ-UHFFFAOYSA-N
SMILES:
OC(CN1CCCCC1)COc1ccccc1C(=O)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Self-organizing maps for identification of new inhibitors of P-glycoprotein. | Journal of medicinal chemistry 20070405 |
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