(2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone

C18H20FNO2S — CID 15728740

IUPAC(2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone
SMILESCN1CCC(C(O)c2ccsc2C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H20FNO2S/c1-20-9-6-12(7-10-20)16(21)14-8-11-23-18(14)17(22)13-4-2-3-5-15(13)19/h2-5,8,11-12,16,21H,6-7,9-10H2,1H3
InChIKeyMNZADIRAVVRELL-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.49
Rot. Bonds4

About (2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone

(2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone (PubChem CID 15728740) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone
PubChem CID15728740
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name(2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone
SMILESCN1CCC(C(O)c2ccsc2C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H20FNO2S/c1-20-9-6-12(7-10-20)16(21)14-8-11-23-18(14)17(22)13-4-2-3-5-15(13)19/h2-5,8,11-12,16,21H,6-7,9-10H2,1H3
InChIKeyMNZADIRAVVRELL-UHFFFAOYSA-N
XLogP3.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone (CID 15728740) is (2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone is CN1CCC(C(O)c2ccsc2C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone?
The InChIKey is MNZADIRAVVRELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-20-9-6-12(7-10-20)16(21)14-8-11-23-18(14)17(22)13-4-2-3-5-15(13)19/h2-5,8,11-12,16,21H,6-7,9-10H2,1H3.
What are the key properties of (2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone?
(2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone has a molecular weight of 333.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-[hydroxy-(1-methylpiperidin-4-yl)methyl]thiophen-2-yl]methanone is sourced from PubChem (CID 15728740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).