4-[(2-fluorophenyl)sulfinylmethyl]piperidine

C12H16FNOS — CID 22248093

IUPAC4-[(2-fluorophenyl)sulfinylmethyl]piperidine
SMILESO=S(CC1CCNCC1)c1ccccc1F
InChIInChI=1S/C12H16FNOS/c13-11-3-1-2-4-12(11)16(15)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
InChIKeyPXWGKRJGAPWSHO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.93
Rot. Bonds3

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

4-[(2-fluorophenyl)sulfinylmethyl]piperidine (PubChem CID 22248093) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfinylmethyl]piperidine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfinylmethyl]piperidine
PubChem CID22248093
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name4-[(2-fluorophenyl)sulfinylmethyl]piperidine
SMILESO=S(CC1CCNCC1)c1ccccc1F
InChIInChI=1S/C12H16FNOS/c13-11-3-1-2-4-12(11)16(15)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
InChIKeyPXWGKRJGAPWSHO-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfinylmethyl]piperidine?
The IUPAC name of 4-[(2-fluorophenyl)sulfinylmethyl]piperidine (CID 22248093) is 4-[(2-fluorophenyl)sulfinylmethyl]piperidine.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfinylmethyl]piperidine?
The canonical SMILES for 4-[(2-fluorophenyl)sulfinylmethyl]piperidine is O=S(CC1CCNCC1)c1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)sulfinylmethyl]piperidine?
The InChIKey is PXWGKRJGAPWSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-11-3-1-2-4-12(11)16(15)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2.
What are the key properties of 4-[(2-fluorophenyl)sulfinylmethyl]piperidine?
4-[(2-fluorophenyl)sulfinylmethyl]piperidine has a molecular weight of 241.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfinylmethyl]piperidine is sourced from PubChem (CID 22248093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).