1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine

C24H26FN — CID 10043309

IUPAC1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H26FN/c25-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-26-15-13-22(14-16-26)20-6-2-1-3-7-20/h1-3,6-13,19H,4-5,14-18H2/t19-/m1/s1
InChIKeyZWUNBPHDMGCKGM-LJQANCHMSA-N
MW347.48 g/mol
LogP5.80
Rot. Bonds4

About 1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine

1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 10043309) has the molecular formula C24H26FN and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID10043309
Molecular FormulaC24H26FN
Molecular Weight347.48 g/mol
Exact Mass347.20
IUPAC Name1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H26FN/c25-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-26-15-13-22(14-16-26)20-6-2-1-3-7-20/h1-3,6-13,19H,4-5,14-18H2/t19-/m1/s1
InChIKeyZWUNBPHDMGCKGM-LJQANCHMSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine (CID 10043309) is 1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine is Fc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of 1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZWUNBPHDMGCKGM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26FN/c25-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-26-15-13-22(14-16-26)20-6-2-1-3-7-20/h1-3,6-13,19H,4-5,14-18H2/t19-/m1/s1.
What are the key properties of 1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 347.48 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-3-(4-fluorophenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10043309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).