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

C14H18FNO2 — CID 19847317

IUPAC3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)12-5-8-16(9-6-12)10-7-14(17)18/h1-4,12H,5-10H2,(H,17,18)
InChIKeyRHTUJGOVCSXYND-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.48
Rot. Bonds4

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

3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid (PubChem CID 19847317) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid
PubChem CID19847317
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)12-5-8-16(9-6-12)10-7-14(17)18/h1-4,12H,5-10H2,(H,17,18)
InChIKeyRHTUJGOVCSXYND-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid (CID 19847317) is 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid is O=C(O)CCN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid?
The InChIKey is RHTUJGOVCSXYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)12-5-8-16(9-6-12)10-7-14(17)18/h1-4,12H,5-10H2,(H,17,18).
What are the key properties of 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid?
3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 19847317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).