4-(4-fluorophenyl)sulfanylpiperidine

C11H14FNS — CID 3355528

IUPAC4-(4-fluorophenyl)sulfanylpiperidine
SMILESFc1ccc(SC2CCNCC2)cc1
InChIInChI=1S/C11H14FNS/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChIKeyOZONPSQNTUHWGJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.67
Rot. Bonds2

About 4-(4-fluorophenyl)sulfanylpiperidine

4-(4-fluorophenyl)sulfanylpiperidine (PubChem CID 3355528) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanylpiperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanylpiperidine
PubChem CID3355528
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name4-(4-fluorophenyl)sulfanylpiperidine
SMILESFc1ccc(SC2CCNCC2)cc1
InChIInChI=1S/C11H14FNS/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChIKeyOZONPSQNTUHWGJ-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanylpiperidine?
The IUPAC name of 4-(4-fluorophenyl)sulfanylpiperidine (CID 3355528) is 4-(4-fluorophenyl)sulfanylpiperidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanylpiperidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanylpiperidine is Fc1ccc(SC2CCNCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanylpiperidine?
The InChIKey is OZONPSQNTUHWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2.
What are the key properties of 4-(4-fluorophenyl)sulfanylpiperidine?
4-(4-fluorophenyl)sulfanylpiperidine has a molecular weight of 211.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanylpiperidine is sourced from PubChem (CID 3355528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).