4-[(2-fluorophenyl)sulfanylmethyl]piperidine

C12H16FNS — CID 22247977

IUPAC4-[(2-fluorophenyl)sulfanylmethyl]piperidine
SMILESFc1ccccc1SCC1CCNCC1
InChIInChI=1S/C12H16FNS/c13-11-3-1-2-4-12(11)15-9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
InChIKeyZMSUOJJHNHKFTJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.92
Rot. Bonds3

About 4-[(2-fluorophenyl)sulfanylmethyl]piperidine

4-[(2-fluorophenyl)sulfanylmethyl]piperidine (PubChem CID 22247977) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfanylmethyl]piperidine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfanylmethyl]piperidine
PubChem CID22247977
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name4-[(2-fluorophenyl)sulfanylmethyl]piperidine
SMILESFc1ccccc1SCC1CCNCC1
InChIInChI=1S/C12H16FNS/c13-11-3-1-2-4-12(11)15-9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
InChIKeyZMSUOJJHNHKFTJ-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfanylmethyl]piperidine?
The IUPAC name of 4-[(2-fluorophenyl)sulfanylmethyl]piperidine (CID 22247977) is 4-[(2-fluorophenyl)sulfanylmethyl]piperidine.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfanylmethyl]piperidine?
The canonical SMILES for 4-[(2-fluorophenyl)sulfanylmethyl]piperidine is Fc1ccccc1SCC1CCNCC1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfanylmethyl]piperidine?
The InChIKey is ZMSUOJJHNHKFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c13-11-3-1-2-4-12(11)15-9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2.
What are the key properties of 4-[(2-fluorophenyl)sulfanylmethyl]piperidine?
4-[(2-fluorophenyl)sulfanylmethyl]piperidine has a molecular weight of 225.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfanylmethyl]piperidine is sourced from PubChem (CID 22247977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).