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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Related Compounds

N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 15086307
2-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)-5,6,7,8,9,9a-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 67836111
2-[(1R)-1-[4-[(4-fluorophenyl)-[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]phenyl]ethyl]isoindole-1,3-dione
CID 177196222
[3-[[4-(diethylcarbamoyl)phenyl]-(1-propylpiperidin-4-ylidene)methyl]phenyl]carbamic acid
CID 69478896
2-[4-[3-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]propyl]piperazin-1-yl]quinoline;dihydrochloride
CID 19915758
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664
2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid
CID 54424990
2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride
CID 71587103
2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide
CID 54271471

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).