4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine

C18H18FN — CID 18412102

IUPAC4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1c(C2=CCNCC2)cccc1-c1ccc(F)cc1
InChIInChI=1S/C18H18FN/c1-13-17(14-5-7-16(19)8-6-14)3-2-4-18(13)15-9-11-20-12-10-15/h2-9,20H,10-12H2,1H3
InChIKeyHOIBJFQYSDWNTI-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.18
Rot. Bonds2

About 4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine

4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 18412102) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine
PubChem CID18412102
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1c(C2=CCNCC2)cccc1-c1ccc(F)cc1
InChIInChI=1S/C18H18FN/c1-13-17(14-5-7-16(19)8-6-14)3-2-4-18(13)15-9-11-20-12-10-15/h2-9,20H,10-12H2,1H3
InChIKeyHOIBJFQYSDWNTI-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine (CID 18412102) is 4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine is Cc1c(C2=CCNCC2)cccc1-c1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is HOIBJFQYSDWNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN/c1-13-17(14-5-7-16(19)8-6-14)3-2-4-18(13)15-9-11-20-12-10-15/h2-9,20H,10-12H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine?
4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 267.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-2-methylphenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 18412102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).