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

C20H24FNOS — CID 112804427

IUPAC1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine
SMILESFc1ccc(SCCN2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24FNOS/c21-18-6-8-20(9-7-18)24-15-14-22-12-10-19(11-13-22)23-16-17-4-2-1-3-5-17/h1-9,19H,10-16H2
InChIKeyGRTWFYURQPMODB-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.60
Rot. Bonds7

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

1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine (PubChem CID 112804427) has the molecular formula C20H24FNOS and a molecular weight of 345.48 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine
PubChem CID112804427
Molecular FormulaC20H24FNOS
Molecular Weight345.48 g/mol
Exact Mass345.16
IUPAC Name1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine
SMILESFc1ccc(SCCN2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24FNOS/c21-18-6-8-20(9-7-18)24-15-14-22-12-10-19(11-13-22)23-16-17-4-2-1-3-5-17/h1-9,19H,10-16H2
InChIKeyGRTWFYURQPMODB-UHFFFAOYSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine (CID 112804427) is 1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine is Fc1ccc(SCCN2CCC(OCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine?
The InChIKey is GRTWFYURQPMODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNOS/c21-18-6-8-20(9-7-18)24-15-14-22-12-10-19(11-13-22)23-16-17-4-2-1-3-5-17/h1-9,19H,10-16H2.
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine?
1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine has a molecular weight of 345.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine is sourced from PubChem (CID 112804427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).