3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid

C10H19FN2O2 — CID 81114000

IUPAC3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CCCF)CC1
InChIInChI=1S/C10H19FN2O2/c11-3-1-4-12-6-8-13(9-7-12)5-2-10(14)15/h1-9H2,(H,14,15)
InChIKeyOFCPDVAVVKKPAQ-UHFFFAOYSA-N
MW218.27 g/mol
LogP0.44
Rot. Bonds6

About 3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid

3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid (PubChem CID 81114000) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid
PubChem CID81114000
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CCCF)CC1
InChIInChI=1S/C10H19FN2O2/c11-3-1-4-12-6-8-13(9-7-12)5-2-10(14)15/h1-9H2,(H,14,15)
InChIKeyOFCPDVAVVKKPAQ-UHFFFAOYSA-N
XLogP0.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid (CID 81114000) is 3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(CCCF)CC1.
What is the InChIKey of 3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid?
The InChIKey is OFCPDVAVVKKPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c11-3-1-4-12-6-8-13(9-7-12)5-2-10(14)15/h1-9H2,(H,14,15).
What are the key properties of 3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid?
3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid has a molecular weight of 218.27 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoropropyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 81114000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).