4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine

C18H21FN2 — CID 110252937

IUPAC4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine
SMILESCc1cc(Cc2ccccc2F)cc(C2CCCNC2)n1
InChIInChI=1S/C18H21FN2/c1-13-9-14(10-15-5-2-3-7-17(15)19)11-18(21-13)16-6-4-8-20-12-16/h2-3,5,7,9,11,16,20H,4,6,8,10,12H2,1H3
InChIKeyINZUIESASHMERN-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.59
Rot. Bonds3

About 4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine

4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine (PubChem CID 110252937) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine
PubChem CID110252937
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine
SMILESCc1cc(Cc2ccccc2F)cc(C2CCCNC2)n1
InChIInChI=1S/C18H21FN2/c1-13-9-14(10-15-5-2-3-7-17(15)19)11-18(21-13)16-6-4-8-20-12-16/h2-3,5,7,9,11,16,20H,4,6,8,10,12H2,1H3
InChIKeyINZUIESASHMERN-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine (CID 110252937) is 4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine is Cc1cc(Cc2ccccc2F)cc(C2CCCNC2)n1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine?
The InChIKey is INZUIESASHMERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13-9-14(10-15-5-2-3-7-17(15)19)11-18(21-13)16-6-4-8-20-12-16/h2-3,5,7,9,11,16,20H,4,6,8,10,12H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine?
4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine has a molecular weight of 284.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-2-methyl-6-piperidin-3-ylpyridine is sourced from PubChem (CID 110252937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).