3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine

C11H22FNS — CID 146320602

IUPAC3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine
SMILESCSCCCCC1(F)CCCN(C)C1
InChIInChI=1S/C11H22FNS/c1-13-8-5-7-11(12,10-13)6-3-4-9-14-2/h3-10H2,1-2H3
InChIKeyCWYZQGQLWNAXFN-UHFFFAOYSA-N
MW219.37 g/mol
LogP2.95
Rot. Bonds5

About 3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine

3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine (PubChem CID 146320602) has the molecular formula C11H22FNS and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine
PubChem CID146320602
Molecular FormulaC11H22FNS
Molecular Weight219.37 g/mol
Exact Mass219.15
IUPAC Name3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine
SMILESCSCCCCC1(F)CCCN(C)C1
InChIInChI=1S/C11H22FNS/c1-13-8-5-7-11(12,10-13)6-3-4-9-14-2/h3-10H2,1-2H3
InChIKeyCWYZQGQLWNAXFN-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine?
The IUPAC name of 3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine (CID 146320602) is 3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine.
What is the SMILES notation for 3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine?
The canonical SMILES for 3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine is CSCCCCC1(F)CCCN(C)C1.
What is the InChIKey of 3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine?
The InChIKey is CWYZQGQLWNAXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNS/c1-13-8-5-7-11(12,10-13)6-3-4-9-14-2/h3-10H2,1-2H3.
What are the key properties of 3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine?
3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine has a molecular weight of 219.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine is sourced from PubChem (CID 146320602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).