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15847-72-0 | 1-Propanone, 1-[4-(3-hydroxyphenyl)-4-piperidinyl]-
CAS No: 15847-72-0 Catalog No: AG001Q8E MDL No:
Product Description
Catalog Number:
AG001Q8E
Chemical Name:
1-Propanone, 1-[4-(3-hydroxyphenyl)-4-piperidinyl]-
CAS Number:
15847-72-0
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
1-[4-(3-hydroxyphenyl)piperidin-4-yl]propan-1-one
InChI:
InChI=1S/C14H19NO2/c1-2-13(17)14(6-8-15-9-7-14)11-4-3-5-12(16)10-11/h3-5,10,15-16H,2,6-9H2,1H3
InChI Key:
BJTDPLRIKDSWIS-UHFFFAOYSA-N
SMILES:
CCC(=O)C1(CCNCC1)c1cccc(c1)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Simultaneous analysis of five antidepressant drugs using direct injection of biofluids in a capillary restricted-access media-liquid chromatography-tandem mass spectrometry system. | Journal of chromatography. A 20080502 |
| Ketobemidone is a substrate for cytochrome P4502C9 and 3A4, but not for P-glycoprotein. | Xenobiotica; the fate of foreign compounds in biological systems 20050801 |
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