3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid

C15H19F2NO2 — CID 64527221

IUPAC3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid
SMILESCC(CC(=O)O)(c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C15H19F2NO2/c1-15(10-14(19)20,18-7-3-2-4-8-18)12-6-5-11(16)9-13(12)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyGIICQHKNGQPYHY-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.14
Rot. Bonds4

About 3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid

3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid (PubChem CID 64527221) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid
PubChem CID64527221
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid
SMILESCC(CC(=O)O)(c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C15H19F2NO2/c1-15(10-14(19)20,18-7-3-2-4-8-18)12-6-5-11(16)9-13(12)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyGIICQHKNGQPYHY-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid?
The IUPAC name of 3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid (CID 64527221) is 3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid?
The canonical SMILES for 3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid is CC(CC(=O)O)(c1ccc(F)cc1F)N1CCCCC1.
What is the InChIKey of 3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid?
The InChIKey is GIICQHKNGQPYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-15(10-14(19)20,18-7-3-2-4-8-18)12-6-5-11(16)9-13(12)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20).
What are the key properties of 3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid?
3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid has a molecular weight of 283.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 64527221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).