4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine

C20H26N2OS — CID 145358951

IUPAC4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine
SMILESO=S(c1ccc(C2CCNCC2)c2ccccc12)C1CCNCC1
InChIInChI=1S/C20H26N2OS/c23-24(16-9-13-22-14-10-16)20-6-5-17(15-7-11-21-12-8-15)18-3-1-2-4-19(18)20/h1-6,15-16,21-22H,7-14H2
InChIKeyUTAZJFDUWKVWHU-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.17
Rot. Bonds3

About 4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine

4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine (PubChem CID 145358951) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine.

Molecular Properties

Compound Name4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine
PubChem CID145358951
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine
SMILESO=S(c1ccc(C2CCNCC2)c2ccccc12)C1CCNCC1
InChIInChI=1S/C20H26N2OS/c23-24(16-9-13-22-14-10-16)20-6-5-17(15-7-11-21-12-8-15)18-3-1-2-4-19(18)20/h1-6,15-16,21-22H,7-14H2
InChIKeyUTAZJFDUWKVWHU-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine?
The IUPAC name of 4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine (CID 145358951) is 4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine.
What is the SMILES notation for 4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine?
The canonical SMILES for 4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine is O=S(c1ccc(C2CCNCC2)c2ccccc12)C1CCNCC1.
What is the InChIKey of 4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine?
The InChIKey is UTAZJFDUWKVWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c23-24(16-9-13-22-14-10-16)20-6-5-17(15-7-11-21-12-8-15)18-3-1-2-4-19(18)20/h1-6,15-16,21-22H,7-14H2.
What are the key properties of 4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine?
4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine has a molecular weight of 342.51 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine is sourced from PubChem (CID 145358951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).