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

C18H18FN — CID 22599972

IUPAC4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine
SMILESFc1ccc(Cc2ccc(C3=CCNCC3)cc2)cc1
InChIInChI=1S/C18H18FN/c19-18-7-3-15(4-8-18)13-14-1-5-16(6-2-14)17-9-11-20-12-10-17/h1-9,20H,10-13H2
InChIKeyIPBBAQYVEKEDOF-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.79
Rot. Bonds3

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

4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 22599972) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID22599972
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine
SMILESFc1ccc(Cc2ccc(C3=CCNCC3)cc2)cc1
InChIInChI=1S/C18H18FN/c19-18-7-3-15(4-8-18)13-14-1-5-16(6-2-14)17-9-11-20-12-10-17/h1-9,20H,10-13H2
InChIKeyIPBBAQYVEKEDOF-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine (CID 22599972) is 4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine is Fc1ccc(Cc2ccc(C3=CCNCC3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is IPBBAQYVEKEDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN/c19-18-7-3-15(4-8-18)13-14-1-5-16(6-2-14)17-9-11-20-12-10-17/h1-9,20H,10-13H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine?
4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 267.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 22599972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).