(5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C18H19FN2O2 — CID 36929351

IUPAC(5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(F)cc1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H19FN2O2/c1-13-6-7-14(19)12-15(13)18(23)21-10-8-20(9-11-21)16-4-2-3-5-17(16)22/h2-7,12,22H,8-11H2,1H3
InChIKeyBVMGFKXWWGYHSR-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.80
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

(5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 36929351) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID36929351
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(F)cc1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H19FN2O2/c1-13-6-7-14(19)12-15(13)18(23)21-10-8-20(9-11-21)16-4-2-3-5-17(16)22/h2-7,12,22H,8-11H2,1H3
InChIKeyBVMGFKXWWGYHSR-UHFFFAOYSA-N
XLogP2.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 36929351) is (5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is Cc1ccc(F)cc1C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is BVMGFKXWWGYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-6-7-14(19)12-15(13)18(23)21-10-8-20(9-11-21)16-4-2-3-5-17(16)22/h2-7,12,22H,8-11H2,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
(5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 314.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 36929351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).