[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone

C18H24FNO3 — CID 45237615

IUPAC[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H24FNO3/c19-16-3-1-2-14(10-16)11-18(13-21)5-7-20(8-6-18)17(22)15-4-9-23-12-15/h1-3,10,15,21H,4-9,11-13H2
InChIKeyVOWJKRWFMZYSQN-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.01
Rot. Bonds4

About [4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone

[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 45237615) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID45237615
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H24FNO3/c19-16-3-1-2-14(10-16)11-18(13-21)5-7-20(8-6-18)17(22)15-4-9-23-12-15/h1-3,10,15,21H,4-9,11-13H2
InChIKeyVOWJKRWFMZYSQN-UHFFFAOYSA-N
XLogP2.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-Butenoyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23724064
[3-(2-Phenylethyl)-1-(4,4,4-trifluorobutanoyl)-3-piperidinyl]methanol
CID 23723355
{1-[(1-Methylcyclopropyl)carbonyl]-4-[3-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 23723853
1-{3-[3-Benzyl-3-(hydroxymethyl)-1-piperidinyl]-3-oxopropyl}-2-pyrrolidinone
CID 24790770
Methyl 4-[3-(2-fluorobenzyl)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 23723569
[4-(2-Phenylethyl)-1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methanol
CID 23723811
[4-(2-phenylethyl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidin-4-yl]methanol
CID 16188733
3-[2-(3,4-difluorophenyl)ethyl]-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidine
CID 45231273
[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 97470119
4-[(3R,4S)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-4-oxobutanoic acid
CID 129578349
{1-(Cyclopentylacetyl)-4-[3-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 25280363
1-{2-[4-(3-Fluorobenzyl)-4-(hydroxymethyl)-1-piperidinyl]-2-oxoethyl}-2-pyrrolidinone
CID 31105868

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone (CID 45237615) is [4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCC(CO)(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is VOWJKRWFMZYSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c19-16-3-1-2-14(10-16)11-18(13-21)5-7-20(8-6-18)17(22)15-4-9-23-12-15/h1-3,10,15,21H,4-9,11-13H2.
What are the key properties of [4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone?
[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 321.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 45237615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).