1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride

C23H25ClFNOS — CID 141037036

IUPAC1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride
SMILESCl.O=S(c1ccc2ccccc2c1)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FNOS.ClH/c24-21-8-5-18(6-9-21)11-14-25-15-12-22(13-16-25)27(26)23-10-7-19-3-1-2-4-20(19)17-23;/h1-10,17,22H,11-16H2;1H
InChIKeyRQZFCKKMKGEGNE-UHFFFAOYSA-N
MW417.98 g/mol
LogP5.22
Rot. Bonds5

About 1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride

1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride (PubChem CID 141037036) has the molecular formula C23H25ClFNOS and a molecular weight of 417.98 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride
PubChem CID141037036
Molecular FormulaC23H25ClFNOS
Molecular Weight417.98 g/mol
Exact Mass417.13
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride
SMILESCl.O=S(c1ccc2ccccc2c1)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FNOS.ClH/c24-21-8-5-18(6-9-21)11-14-25-15-12-22(13-16-25)27(26)23-10-7-19-3-1-2-4-20(19)17-23;/h1-10,17,22H,11-16H2;1H
InChIKeyRQZFCKKMKGEGNE-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.98
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride (CID 141037036) is 1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride is Cl.O=S(c1ccc2ccccc2c1)C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride?
The InChIKey is RQZFCKKMKGEGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNOS.ClH/c24-21-8-5-18(6-9-21)11-14-25-15-12-22(13-16-25)27(26)23-10-7-19-3-1-2-4-20(19)17-23;/h1-10,17,22H,11-16H2;1H.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride?
1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride has a molecular weight of 417.98 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-4-naphthalen-2-ylsulfinylpiperidine;hydrochloride is sourced from PubChem (CID 141037036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).