(4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone

C17H18FN3O2 — CID 134143316

IUPAC(4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCN1CCN(c2cccc(C(=O)c3ccc(F)c(O)c3)n2)CC1
InChIInChI=1S/C17H18FN3O2/c1-20-7-9-21(10-8-20)16-4-2-3-14(19-16)17(23)12-5-6-13(18)15(22)11-12/h2-6,11,22H,7-10H2,1H3
InChIKeyJSMLPWJQBCDATP-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.91
Rot. Bonds3

About (4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone

(4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone (PubChem CID 134143316) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
PubChem CID134143316
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCN1CCN(c2cccc(C(=O)c3ccc(F)c(O)c3)n2)CC1
InChIInChI=1S/C17H18FN3O2/c1-20-7-9-21(10-8-20)16-4-2-3-14(19-16)17(23)12-5-6-13(18)15(22)11-12/h2-6,11,22H,7-10H2,1H3
InChIKeyJSMLPWJQBCDATP-UHFFFAOYSA-N
XLogP1.91
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone (CID 134143316) is (4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone is CN1CCN(c2cccc(C(=O)c3ccc(F)c(O)c3)n2)CC1.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The InChIKey is JSMLPWJQBCDATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-20-7-9-21(10-8-20)16-4-2-3-14(19-16)17(23)12-5-6-13(18)15(22)11-12/h2-6,11,22H,7-10H2,1H3.
What are the key properties of (4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
(4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone has a molecular weight of 315.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 134143316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).