(4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone

C21H24FNO2S — CID 122557278

IUPAC(4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(CSCCO)cc2)cc1)N1CCC(F)CC1
InChIInChI=1S/C21H24FNO2S/c22-20-9-11-23(12-10-20)21(25)19-7-5-18(6-8-19)17-3-1-16(2-4-17)15-26-14-13-24/h1-8,20,24H,9-15H2
InChIKeyCMHUDRDHPSFKPZ-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.15
Rot. Bonds6

About (4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone

(4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone (PubChem CID 122557278) has the molecular formula C21H24FNO2S and a molecular weight of 373.49 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone
PubChem CID122557278
Molecular FormulaC21H24FNO2S
Molecular Weight373.49 g/mol
Exact Mass373.15
IUPAC Name(4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(CSCCO)cc2)cc1)N1CCC(F)CC1
InChIInChI=1S/C21H24FNO2S/c22-20-9-11-23(12-10-20)21(25)19-7-5-18(6-8-19)17-3-1-16(2-4-17)15-26-14-13-24/h1-8,20,24H,9-15H2
InChIKeyCMHUDRDHPSFKPZ-UHFFFAOYSA-N
XLogP4.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]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 (4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone (CID 122557278) is (4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone is O=C(c1ccc(-c2ccc(CSCCO)cc2)cc1)N1CCC(F)CC1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone?
The InChIKey is CMHUDRDHPSFKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2S/c22-20-9-11-23(12-10-20)21(25)19-7-5-18(6-8-19)17-3-1-16(2-4-17)15-26-14-13-24/h1-8,20,24H,9-15H2.
What are the key properties of (4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone?
(4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone has a molecular weight of 373.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-[4-[4-(2-hydroxyethylsulfanylmethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 122557278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).