(5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone

C15H19FN2O2S — CID 71970648

IUPAC(5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1O)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C15H19FN2O2S/c16-11-1-2-14(19)13(9-11)15(20)18-6-4-17(5-7-18)12-3-8-21-10-12/h1-2,9,12,19H,3-8,10H2
InChIKeyXMUZEEKPPSAKLC-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.79
Rot. Bonds2

About (5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone

(5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone (PubChem CID 71970648) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone
PubChem CID71970648
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name(5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1O)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C15H19FN2O2S/c16-11-1-2-14(19)13(9-11)15(20)18-6-4-17(5-7-18)12-3-8-21-10-12/h1-2,9,12,19H,3-8,10H2
InChIKeyXMUZEEKPPSAKLC-UHFFFAOYSA-N
XLogP1.79
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone (CID 71970648) is (5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone is O=C(c1cc(F)ccc1O)N1CCN(C2CCSC2)CC1.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The InChIKey is XMUZEEKPPSAKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c16-11-1-2-14(19)13(9-11)15(20)18-6-4-17(5-7-18)12-3-8-21-10-12/h1-2,9,12,19H,3-8,10H2.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
(5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone has a molecular weight of 310.39 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71970648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).