4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid

C16H20F3NO3 — CID 66722020

IUPAC4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid
SMILESO=C(O)CCC(c1ccc(OC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C16H20F3NO3/c17-16(18,19)23-13-6-4-12(5-7-13)14(8-9-15(21)22)20-10-2-1-3-11-20/h4-7,14H,1-3,8-11H2,(H,21,22)
InChIKeyYOQUBRCGIZWHHV-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.98
Rot. Bonds6

About 4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid

4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid (PubChem CID 66722020) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid.

Molecular Properties

Compound Name4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid
PubChem CID66722020
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid
SMILESO=C(O)CCC(c1ccc(OC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C16H20F3NO3/c17-16(18,19)23-13-6-4-12(5-7-13)14(8-9-15(21)22)20-10-2-1-3-11-20/h4-7,14H,1-3,8-11H2,(H,21,22)
InChIKeyYOQUBRCGIZWHHV-UHFFFAOYSA-N
XLogP3.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid?
The IUPAC name of 4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid (CID 66722020) is 4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid.
What is the SMILES notation for 4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid?
The canonical SMILES for 4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid is O=C(O)CCC(c1ccc(OC(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of 4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid?
The InChIKey is YOQUBRCGIZWHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3/c17-16(18,19)23-13-6-4-12(5-7-13)14(8-9-15(21)22)20-10-2-1-3-11-20/h4-7,14H,1-3,8-11H2,(H,21,22).
What are the key properties of 4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid?
4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid has a molecular weight of 331.33 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-4-[4-(trifluoromethoxy)phenyl]butanoic acid is sourced from PubChem (CID 66722020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).