4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine

C21H24FNO — CID 782013

IUPAC4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCOc1cc(C)c(CN2CC=C(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C21H24FNO/c1-15-13-21(24-3)16(2)12-19(15)14-23-10-8-18(9-11-23)17-4-6-20(22)7-5-17/h4-8,12-13H,9-11,14H2,1-3H3
InChIKeyXRAMAZMWJQILMZ-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.74
Rot. Bonds4

About 4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine

4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 782013) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID782013
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCOc1cc(C)c(CN2CC=C(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C21H24FNO/c1-15-13-21(24-3)16(2)12-19(15)14-23-10-8-18(9-11-23)17-4-6-20(22)7-5-17/h4-8,12-13H,9-11,14H2,1-3H3
InChIKeyXRAMAZMWJQILMZ-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine (CID 782013) is 4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine is COc1cc(C)c(CN2CC=C(c3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is XRAMAZMWJQILMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c1-15-13-21(24-3)16(2)12-19(15)14-23-10-8-18(9-11-23)17-4-6-20(22)7-5-17/h4-8,12-13H,9-11,14H2,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine?
4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 325.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 782013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).