4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine

C14H20FNS — CID 142021686

IUPAC4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine
SMILESCN1CCC(CCSc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNS/c1-16-9-6-12(7-10-16)8-11-17-14-4-2-13(15)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeyAXMTVMIRWBXWHA-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.65
Rot. Bonds4

About 4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine

4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine (PubChem CID 142021686) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine
PubChem CID142021686
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine
SMILESCN1CCC(CCSc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNS/c1-16-9-6-12(7-10-16)8-11-17-14-4-2-13(15)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeyAXMTVMIRWBXWHA-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine (CID 142021686) is 4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine is CN1CCC(CCSc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine?
The InChIKey is AXMTVMIRWBXWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-16-9-6-12(7-10-16)8-11-17-14-4-2-13(15)3-5-14/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine?
4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine has a molecular weight of 253.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)sulfanylethyl]-1-methylpiperidine is sourced from PubChem (CID 142021686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).