5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde

C17H16F3NO2 — CID 169334056

IUPAC5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)o1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)15-10-12(21-8-2-1-3-9-21)4-6-14(15)16-7-5-13(11-22)23-16/h4-7,10-11H,1-3,8-9H2
InChIKeyOTRWXKJVXJIPBB-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.77
Rot. Bonds3

About 5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde

5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde (PubChem CID 169334056) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
PubChem CID169334056
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)o1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)15-10-12(21-8-2-1-3-9-21)4-6-14(15)16-7-5-13(11-22)23-16/h4-7,10-11H,1-3,8-9H2
InChIKeyOTRWXKJVXJIPBB-UHFFFAOYSA-N
XLogP4.77
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde (CID 169334056) is 5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(N3CCCCC3)cc2C(F)(F)F)o1.
What is the InChIKey of 5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The InChIKey is OTRWXKJVXJIPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)15-10-12(21-8-2-1-3-9-21)4-6-14(15)16-7-5-13(11-22)23-16/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde has a molecular weight of 323.31 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).