2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one

C17H18FNO3 — CID 71975073

IUPAC2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one
SMILESO=c1cc(CN2CCC(c3ccc(F)cc3)CC2)occ1O
InChIInChI=1S/C17H18FNO3/c18-14-3-1-12(2-4-14)13-5-7-19(8-6-13)10-15-9-16(20)17(21)11-22-15/h1-4,9,11,13,21H,5-8,10H2
InChIKeyVIEHZUPXHLNZBP-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.86
Rot. Bonds3

About 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one

2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one (PubChem CID 71975073) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one
PubChem CID71975073
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one
SMILESO=c1cc(CN2CCC(c3ccc(F)cc3)CC2)occ1O
InChIInChI=1S/C17H18FNO3/c18-14-3-1-12(2-4-14)13-5-7-19(8-6-13)10-15-9-16(20)17(21)11-22-15/h1-4,9,11,13,21H,5-8,10H2
InChIKeyVIEHZUPXHLNZBP-UHFFFAOYSA-N
XLogP2.86
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
CID 1279742
2-({3-[2-(2,6-difluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56914347
2-((4-benzylpiperidin-1-yl)methyl)-3-hydroxy-6-methyl-4H-pyran-4-one
CID 53367935
5-methoxy-2-({3-[2-(2-methylphenyl)ethyl]-1-piperidinyl}methyl)-4H-pyran-4-one
CID 56899648
2-({3-[2-(3,4-difluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56901329
2-({3-[2-(4-fluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56909309
2-({3-[2-(2-fluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56914558
3-Hydroxy-6-methyl-2-[(4-phenyl-1-piperidyl)methyl]pyran-4-one
CID 71591064
6-(chloromethyl)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-hydroxypyran-4-one
CID 71654949
5-Hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]pyran-4-one
CID 60332033
2-[(4-Fluorophenyl)methyl]-3-hydroxy-1-(2-morpholin-4-ylethyl)pyridin-4-one
CID 21474276
(E)-4-[3-[(E)-3-[3-(4-fluorophenyl)piperidin-1-yl]-3-oxoprop-1-enyl]phenyl]-1-hydroxybut-3-en-2-one
CID 58244957

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one (CID 71975073) is 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one is O=c1cc(CN2CCC(c3ccc(F)cc3)CC2)occ1O.
What is the InChIKey of 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one?
The InChIKey is VIEHZUPXHLNZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c18-14-3-1-12(2-4-14)13-5-7-19(8-6-13)10-15-9-16(20)17(21)11-22-15/h1-4,9,11,13,21H,5-8,10H2.
What are the key properties of 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one?
2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one has a molecular weight of 303.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 71975073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).