4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid

C15H18FNO3 — CID 94701076

IUPAC4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C15H18FNO3/c16-13-4-2-1-3-12(13)11-7-9-17(10-8-11)14(18)5-6-15(19)20/h1-4,11H,5-10H2,(H,19,20)
InChIKeyUEZJRWYISBOBLH-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.40
Rot. Bonds4

About 4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid

4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 94701076) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID94701076
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C15H18FNO3/c16-13-4-2-1-3-12(13)11-7-9-17(10-8-11)14(18)5-6-15(19)20/h1-4,11H,5-10H2,(H,19,20)
InChIKeyUEZJRWYISBOBLH-UHFFFAOYSA-N
XLogP2.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid
CID 82134002
1-[7-(2-fluorophenyl)-1,4-thiazepan-4-yl]-5-phenylpentan-1-one
CID 121163662
2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552733
3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43634310
4-(2-fluorophenyl)piperidine-1-carbaldehyde
CID 87956080
2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone
CID 140930148
2-[2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 56915846
1-ethyl-4-[2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 97268997
1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 44765669
4-[3-[4-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119184332
1-[4-(2-aminophenyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 170456860

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid (CID 94701076) is 4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCC(c2ccccc2F)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is UEZJRWYISBOBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-13-4-2-1-3-12(13)11-7-9-17(10-8-11)14(18)5-6-15(19)20/h1-4,11H,5-10H2,(H,19,20).
What are the key properties of 4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid?
4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 279.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 94701076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).