[4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone

C17H18FN3O — CID 31806507

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C17H18FN3O/c1-13-5-4-7-15(19-13)17(22)21-11-9-20(10-12-21)16-8-3-2-6-14(16)18/h2-8H,9-12H2,1H3
InChIKeyCGZCQNKZVALRKA-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.49
Rot. Bonds2

About [4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 31806507) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID31806507
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C17H18FN3O/c1-13-5-4-7-15(19-13)17(22)21-11-9-20(10-12-21)16-8-3-2-6-14(16)18/h2-8H,9-12H2,1H3
InChIKeyCGZCQNKZVALRKA-UHFFFAOYSA-N
XLogP2.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 31806507) is [4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is CGZCQNKZVALRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-13-5-4-7-15(19-13)17(22)21-11-9-20(10-12-21)16-8-3-2-6-14(16)18/h2-8H,9-12H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 299.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 31806507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).