3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid

C14H18FNO2 — CID 117028139

IUPAC3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c15-11-4-6-13(7-5-11)16-10-2-1-3-12(16)8-9-14(17)18/h4-7,12H,1-3,8-10H2,(H,17,18)
InChIKeyQYFNDQPRRTZGGJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.05
Rot. Bonds4

About 3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid

3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid (PubChem CID 117028139) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid
PubChem CID117028139
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c15-11-4-6-13(7-5-11)16-10-2-1-3-12(16)8-9-14(17)18/h4-7,12H,1-3,8-10H2,(H,17,18)
InChIKeyQYFNDQPRRTZGGJ-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid
CID 62216139
3-(1-phenylpyrrolidin-2-yl)propanoic acid
CID 117028652
3-[1-(2-cyano-4-fluorophenyl)piperidin-2-yl]propanoic acid
CID 63674267
3-[(2R)-1-[1-(4-fluorophenyl)triazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 124701425
3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62215995
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
3-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 105372416
3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62217691
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
CID 62217146
3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid
CID 63081734

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid (CID 117028139) is 3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid?
The InChIKey is QYFNDQPRRTZGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-11-4-6-13(7-5-11)16-10-2-1-3-12(16)8-9-14(17)18/h4-7,12H,1-3,8-10H2,(H,17,18).
What are the key properties of 3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid?
3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid has a molecular weight of 251.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 117028139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).