3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine

C9H18FNS — CID 126995983

IUPAC3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine
SMILESCSCCN1CCC(C)C(F)C1
InChIInChI=1S/C9H18FNS/c1-8-3-4-11(5-6-12-2)7-9(8)10/h8-9H,3-7H2,1-2H3
InChIKeyBHYBHAFCXFWTSW-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.03
Rot. Bonds3

About 3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine

3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine (PubChem CID 126995983) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine.

Molecular Properties

Compound Name3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine
PubChem CID126995983
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine
SMILESCSCCN1CCC(C)C(F)C1
InChIInChI=1S/C9H18FNS/c1-8-3-4-11(5-6-12-2)7-9(8)10/h8-9H,3-7H2,1-2H3
InChIKeyBHYBHAFCXFWTSW-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine?
The IUPAC name of 3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine (CID 126995983) is 3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine.
What is the SMILES notation for 3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine?
The canonical SMILES for 3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine is CSCCN1CCC(C)C(F)C1.
What is the InChIKey of 3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine?
The InChIKey is BHYBHAFCXFWTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-8-3-4-11(5-6-12-2)7-9(8)10/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine?
3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine has a molecular weight of 191.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine is sourced from PubChem (CID 126995983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).