4-fluoro-4-(methylsulfanylmethyl)piperidine

C7H14FNS — CID 157040672

IUPAC4-fluoro-4-(methylsulfanylmethyl)piperidine
SMILESCSCC1(F)CCNCC1
InChIInChI=1S/C7H14FNS/c1-10-6-7(8)2-4-9-5-3-7/h9H,2-6H2,1H3
InChIKeyHLARPFZSUMYMKR-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.44
Rot. Bonds2

About 4-fluoro-4-(methylsulfanylmethyl)piperidine

4-fluoro-4-(methylsulfanylmethyl)piperidine (PubChem CID 157040672) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-fluoro-4-(methylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(methylsulfanylmethyl)piperidine
PubChem CID157040672
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name4-fluoro-4-(methylsulfanylmethyl)piperidine
SMILESCSCC1(F)CCNCC1
InChIInChI=1S/C7H14FNS/c1-10-6-7(8)2-4-9-5-3-7/h9H,2-6H2,1H3
InChIKeyHLARPFZSUMYMKR-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methylsulfanylmethyl)piperidine?
The IUPAC name of 4-fluoro-4-(methylsulfanylmethyl)piperidine (CID 157040672) is 4-fluoro-4-(methylsulfanylmethyl)piperidine.
What is the SMILES notation for 4-fluoro-4-(methylsulfanylmethyl)piperidine?
The canonical SMILES for 4-fluoro-4-(methylsulfanylmethyl)piperidine is CSCC1(F)CCNCC1.
What is the InChIKey of 4-fluoro-4-(methylsulfanylmethyl)piperidine?
The InChIKey is HLARPFZSUMYMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-10-6-7(8)2-4-9-5-3-7/h9H,2-6H2,1H3.
What are the key properties of 4-fluoro-4-(methylsulfanylmethyl)piperidine?
4-fluoro-4-(methylsulfanylmethyl)piperidine has a molecular weight of 163.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methylsulfanylmethyl)piperidine is sourced from PubChem (CID 157040672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).