6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

C15H18FNO2 — CID 58122462

IUPAC6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESO=C1C(O)CCC2CCCC(c3ccc(F)cc3)N12
InChIInChI=1S/C15H18FNO2/c16-11-6-4-10(5-7-11)13-3-1-2-12-8-9-14(18)15(19)17(12)13/h4-7,12-14,18H,1-3,8-9H2
InChIKeyASUZSRBQQTXEIA-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.40
Rot. Bonds1

About 6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (PubChem CID 58122462) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
PubChem CID58122462
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESO=C1C(O)CCC2CCCC(c3ccc(F)cc3)N12
InChIInChI=1S/C15H18FNO2/c16-11-6-4-10(5-7-11)13-3-1-2-12-8-9-14(18)15(19)17(12)13/h4-7,12-14,18H,1-3,8-9H2
InChIKeyASUZSRBQQTXEIA-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one with MolForge

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Related Compounds

2-Benzyl-6-hydroxy-2-azabicyclo(2.2.2)octan-3-one
CID 2802924
(3S,5R,6R)-1,3,6-Tribenzyl-5-hydroxy-piperidin-2-one
CID 468424
1-[1-(3,4-Difluorobenzyl)-4-piperidyl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
CID 91912881
(3r,4r)-3,4-Dihydroxy-1-methyl-6-phenyl-piperidin-2-one
CID 10036457
(5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one
CID 134944373
(6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one
CID 134858178
9-(4-Fluorobenzyl)-2-(trans-4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70738842
1-[1-(4-Fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
CID 58122369
4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
CID 58169606
4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
CID 58169612
(2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone
CID 58641358
(R)-6-(4-Fluoro-phenyl)-1-((S)-2-hydroxy-1-phenyl-ethyl)-piperidin-2-one
CID 66849884

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (CID 58122462) is 6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is O=C1C(O)CCC2CCCC(c3ccc(F)cc3)N12.
What is the InChIKey of 6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The InChIKey is ASUZSRBQQTXEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-11-6-4-10(5-7-11)13-3-1-2-12-8-9-14(18)15(19)17(12)13/h4-7,12-14,18H,1-3,8-9H2.
What are the key properties of 6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one has a molecular weight of 263.31 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is sourced from PubChem (CID 58122462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).