[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

C19H22FNO2S — CID 24818922

IUPAC[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC(CO)(Cc2ccccc2F)C1
InChIInChI=1S/C19H22FNO2S/c1-14-7-10-24-17(14)18(23)21-9-4-8-19(12-21,13-22)11-15-5-2-3-6-16(15)20/h2-3,5-7,10,22H,4,8-9,11-13H2,1H3
InChIKeyUMPYYAAFHUSBSZ-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.65
Rot. Bonds4

About [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 24818922) has the molecular formula C19H22FNO2S and a molecular weight of 347.45 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID24818922
Molecular FormulaC19H22FNO2S
Molecular Weight347.45 g/mol
Exact Mass347.14
IUPAC Name[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC(CO)(Cc2ccccc2F)C1
InChIInChI=1S/C19H22FNO2S/c1-14-7-10-24-17(14)18(23)21-9-4-8-19(12-21,13-22)11-15-5-2-3-6-16(15)20/h2-3,5-7,10,22H,4,8-9,11-13H2,1H3
InChIKeyUMPYYAAFHUSBSZ-UHFFFAOYSA-N
XLogP3.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 24818922) is [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCCC(CO)(Cc2ccccc2F)C1.
What is the InChIKey of [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is UMPYYAAFHUSBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-14-7-10-24-17(14)18(23)21-9-4-8-19(12-21,13-22)11-15-5-2-3-6-16(15)20/h2-3,5-7,10,22H,4,8-9,11-13H2,1H3.
What are the key properties of [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 347.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 24818922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).