1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine

C17H20FN3 — CID 174611706

IUPAC1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine
SMILESCc1ccc(N2CCN(C)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H20FN3/c1-13-3-8-16(21-11-9-20(2)10-12-21)19-17(13)14-4-6-15(18)7-5-14/h3-8H,9-12H2,1-2H3
InChIKeyJYNFVXMEWVTMIF-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.95
Rot. Bonds2

About 1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine

1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine (PubChem CID 174611706) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine
PubChem CID174611706
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine
SMILESCc1ccc(N2CCN(C)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H20FN3/c1-13-3-8-16(21-11-9-20(2)10-12-21)19-17(13)14-4-6-15(18)7-5-14/h3-8H,9-12H2,1-2H3
InChIKeyJYNFVXMEWVTMIF-UHFFFAOYSA-N
XLogP2.95
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine?
The IUPAC name of 1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine (CID 174611706) is 1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine?
The canonical SMILES for 1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine is Cc1ccc(N2CCN(C)CC2)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine?
The InChIKey is JYNFVXMEWVTMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-13-3-8-16(21-11-9-20(2)10-12-21)19-17(13)14-4-6-15(18)7-5-14/h3-8H,9-12H2,1-2H3.
What are the key properties of 1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine?
1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine has a molecular weight of 285.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine is sourced from PubChem (CID 174611706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).