4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine

C21H24FN — CID 123768930

IUPAC4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
SMILESCCCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN/c1-2-14-23-15-12-19(13-16-23)21(17-6-4-3-5-7-17)18-8-10-20(22)11-9-18/h3-11H,2,12-16H2,1H3
InChIKeyMFDIHONBZTXPJZ-UHFFFAOYSA-N
MW309.43 g/mol
LogP5.13
Rot. Bonds4

About 4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine

4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine (PubChem CID 123768930) has the molecular formula C21H24FN and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
PubChem CID123768930
Molecular FormulaC21H24FN
Molecular Weight309.43 g/mol
Exact Mass309.19
IUPAC Name4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
SMILESCCCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN/c1-2-14-23-15-12-19(13-16-23)21(17-6-4-3-5-7-17)18-8-10-20(22)11-9-18/h3-11H,2,12-16H2,1H3
InChIKeyMFDIHONBZTXPJZ-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine?
The IUPAC name of 4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine (CID 123768930) is 4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine?
The canonical SMILES for 4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine is CCCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine?
The InChIKey is MFDIHONBZTXPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN/c1-2-14-23-15-12-19(13-16-23)21(17-6-4-3-5-7-17)18-8-10-20(22)11-9-18/h3-11H,2,12-16H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine?
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine has a molecular weight of 309.43 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine is sourced from PubChem (CID 123768930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).