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

C17H24FNO2 — CID 114834707

IUPAC3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid
SMILESCC(Cc1ccc(F)cc1)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C17H24FNO2/c1-13(12-15-2-5-16(18)6-3-15)19-10-8-14(9-11-19)4-7-17(20)21/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,20,21)
InChIKeyXGTYDGNGRPIGIQ-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.33
Rot. Bonds6

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

3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid (PubChem CID 114834707) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid
PubChem CID114834707
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid
SMILESCC(Cc1ccc(F)cc1)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C17H24FNO2/c1-13(12-15-2-5-16(18)6-3-15)19-10-8-14(9-11-19)4-7-17(20)21/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,20,21)
InChIKeyXGTYDGNGRPIGIQ-UHFFFAOYSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid (CID 114834707) is 3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid is CC(Cc1ccc(F)cc1)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid?
The InChIKey is XGTYDGNGRPIGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-13(12-15-2-5-16(18)6-3-15)19-10-8-14(9-11-19)4-7-17(20)21/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,20,21).
What are the key properties of 3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid?
3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid has a molecular weight of 293.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 114834707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).