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

C14H18FNO2 — CID 54420761

IUPAC3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CNCCC1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c15-12-4-1-10(2-5-12)13-7-8-16-9-11(13)3-6-14(17)18/h1-2,4-5,11,13,16H,3,6-9H2,(H,17,18)
InChIKeyWAQFPFXOAVPDMV-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.38
Rot. Bonds4

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

3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid (PubChem CID 54420761) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid
PubChem CID54420761
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CNCCC1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c15-12-4-1-10(2-5-12)13-7-8-16-9-11(13)3-6-14(17)18/h1-2,4-5,11,13,16H,3,6-9H2,(H,17,18)
InChIKeyWAQFPFXOAVPDMV-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid (CID 54420761) is 3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CNCCC1c1ccc(F)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid?
The InChIKey is WAQFPFXOAVPDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-12-4-1-10(2-5-12)13-7-8-16-9-11(13)3-6-14(17)18/h1-2,4-5,11,13,16H,3,6-9H2,(H,17,18).
What are the key properties of 3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid?
3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 54420761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).