4-fluoro-4-methylsulfanyl-1-propylpiperidine

C9H18FNS — CID 167009284

IUPAC4-fluoro-4-methylsulfanyl-1-propylpiperidine
SMILESCCCN1CCC(F)(SC)CC1
InChIInChI=1S/C9H18FNS/c1-3-6-11-7-4-9(10,12-2)5-8-11/h3-8H2,1-2H3
InChIKeyWBJIWTGCGKNTME-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.52
Rot. Bonds3

About 4-fluoro-4-methylsulfanyl-1-propylpiperidine

4-fluoro-4-methylsulfanyl-1-propylpiperidine (PubChem CID 167009284) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 4-fluoro-4-methylsulfanyl-1-propylpiperidine.

Molecular Properties

Compound Name4-fluoro-4-methylsulfanyl-1-propylpiperidine
PubChem CID167009284
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name4-fluoro-4-methylsulfanyl-1-propylpiperidine
SMILESCCCN1CCC(F)(SC)CC1
InChIInChI=1S/C9H18FNS/c1-3-6-11-7-4-9(10,12-2)5-8-11/h3-8H2,1-2H3
InChIKeyWBJIWTGCGKNTME-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methylsulfanyl-1-propylpiperidine?
The IUPAC name of 4-fluoro-4-methylsulfanyl-1-propylpiperidine (CID 167009284) is 4-fluoro-4-methylsulfanyl-1-propylpiperidine.
What is the SMILES notation for 4-fluoro-4-methylsulfanyl-1-propylpiperidine?
The canonical SMILES for 4-fluoro-4-methylsulfanyl-1-propylpiperidine is CCCN1CCC(F)(SC)CC1.
What is the InChIKey of 4-fluoro-4-methylsulfanyl-1-propylpiperidine?
The InChIKey is WBJIWTGCGKNTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-3-6-11-7-4-9(10,12-2)5-8-11/h3-8H2,1-2H3.
What are the key properties of 4-fluoro-4-methylsulfanyl-1-propylpiperidine?
4-fluoro-4-methylsulfanyl-1-propylpiperidine has a molecular weight of 191.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methylsulfanyl-1-propylpiperidine is sourced from PubChem (CID 167009284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).