1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

C18H18FN — CID 10061510

IUPAC1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H18FN/c19-18-8-6-16(7-9-18)17-10-12-20(13-11-17)14-15-4-2-1-3-5-15/h1-10H,11-14H2
InChIKeyLLRJZCQEHKIWCO-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.11
Rot. Bonds3

About 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 10061510) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID10061510
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H18FN/c19-18-8-6-16(7-9-18)17-10-12-20(13-11-17)14-15-4-2-1-3-5-15/h1-10H,11-14H2
InChIKeyLLRJZCQEHKIWCO-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 10061510) is 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is Fc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is LLRJZCQEHKIWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN/c19-18-8-6-16(7-9-18)17-10-12-20(13-11-17)14-15-4-2-1-3-5-15/h1-10H,11-14H2.
What are the key properties of 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 267.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10061510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).