2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

C15H20FNOS — CID 6457625

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C15H20FNOS/c1-12-4-2-3-9-17(12)15(18)11-19-10-13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3
InChIKeyCNDLRJVFWKWZLW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.46
Rot. Bonds4

About 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 6457625) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID6457625
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C15H20FNOS/c1-12-4-2-3-9-17(12)15(18)11-19-10-13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3
InChIKeyCNDLRJVFWKWZLW-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone (CID 6457625) is 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CSCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is CNDLRJVFWKWZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c1-12-4-2-3-9-17(12)15(18)11-19-10-13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 281.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 6457625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).