1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid

C22H24FNO2 — CID 53321217

IUPAC1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H24FNO2/c23-22(21(25)26)14-8-16-24(17-22)15-7-13-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-13H,7-8,14-17H2,(H,25,26)
InChIKeyKYVIFZVYZUQCME-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.40
Rot. Bonds6

About 1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid

1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid (PubChem CID 53321217) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid
PubChem CID53321217
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H24FNO2/c23-22(21(25)26)14-8-16-24(17-22)15-7-13-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-13H,7-8,14-17H2,(H,25,26)
InChIKeyKYVIFZVYZUQCME-UHFFFAOYSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid?
The IUPAC name of 1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid (CID 53321217) is 1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid is O=C(O)C1(F)CCCN(CCC=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid?
The InChIKey is KYVIFZVYZUQCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c23-22(21(25)26)14-8-16-24(17-22)15-7-13-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-13H,7-8,14-17H2,(H,25,26).
What are the key properties of 1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid?
1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid has a molecular weight of 353.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diphenylbut-3-enyl)-3-fluoropiperidine-3-carboxylic acid is sourced from PubChem (CID 53321217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).