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

C17H18FN3O — CID 110697414

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H18FN3O/c1-13-3-2-4-16(19-13)17(22)21-11-9-20(10-12-21)15-7-5-14(18)6-8-15/h2-8H,9-12H2,1H3
InChIKeySDVLMSWKSXMPCP-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.49
Rot. Bonds2

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

[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 110697414) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID110697414
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H18FN3O/c1-13-3-2-4-16(19-13)17(22)21-11-9-20(10-12-21)15-7-5-14(18)6-8-15/h2-8H,9-12H2,1H3
InChIKeySDVLMSWKSXMPCP-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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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 84573425
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90509959
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 167780535
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 111109390
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone
CID 109193488
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701031
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
(3-amino-2-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 28723150
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 110697414) is [4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is SDVLMSWKSXMPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-13-3-2-4-16(19-13)17(22)21-11-9-20(10-12-21)15-7-5-14(18)6-8-15/h2-8H,9-12H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[4-(4-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-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 110697414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).