[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone

C17H18FNO2S — CID 71856929

IUPAC[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1sc(C(=O)N2CCC(O)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-11-15(12-2-4-13(18)5-3-12)10-16(22-11)17(21)19-8-6-14(20)7-9-19/h2-5,10,14,20H,6-9H2,1H3
InChIKeyQPCRVZMKEDWYPS-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.46
Rot. Bonds2

About [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone

[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 71856929) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID71856929
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1sc(C(=O)N2CCC(O)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-11-15(12-2-4-13(18)5-3-12)10-16(22-11)17(21)19-8-6-14(20)7-9-19/h2-5,10,14,20H,6-9H2,1H3
InChIKeyQPCRVZMKEDWYPS-UHFFFAOYSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 71856929) is [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone is Cc1sc(C(=O)N2CCC(O)CC2)cc1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is QPCRVZMKEDWYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-11-15(12-2-4-13(18)5-3-12)10-16(22-11)17(21)19-8-6-14(20)7-9-19/h2-5,10,14,20H,6-9H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone?
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 319.40 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 71856929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).