4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine

C13H25FN2S — CID 170022595

IUPAC4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine
SMILESCSC1CCN(CC2(F)CCN(C)CC2)CC1
InChIInChI=1S/C13H25FN2S/c1-15-9-5-13(14,6-10-15)11-16-7-3-12(17-2)4-8-16/h12H,3-11H2,1-2H3
InChIKeyZVNUQFTYDTUHGE-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.25
Rot. Bonds3

About 4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine

4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine (PubChem CID 170022595) has the molecular formula C13H25FN2S and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine
PubChem CID170022595
Molecular FormulaC13H25FN2S
Molecular Weight260.42 g/mol
Exact Mass260.17
IUPAC Name4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine
SMILESCSC1CCN(CC2(F)CCN(C)CC2)CC1
InChIInChI=1S/C13H25FN2S/c1-15-9-5-13(14,6-10-15)11-16-7-3-12(17-2)4-8-16/h12H,3-11H2,1-2H3
InChIKeyZVNUQFTYDTUHGE-UHFFFAOYSA-N
XLogP2.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of 4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine (CID 170022595) is 4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine is CSC1CCN(CC2(F)CCN(C)CC2)CC1.
What is the InChIKey of 4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine?
The InChIKey is ZVNUQFTYDTUHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2S/c1-15-9-5-13(14,6-10-15)11-16-7-3-12(17-2)4-8-16/h12H,3-11H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine?
4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine has a molecular weight of 260.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-4-[(4-methylsulfanylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 170022595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).