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

C20H26N2O2S — CID 130367037

IUPAC4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine
SMILESO=S(=O)(c1ccc(C2CCNCC2)c2ccccc12)C1CCNCC1
InChIInChI=1S/C20H26N2O2S/c23-25(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
InChIKeyUOFJWHYYHCZJQJ-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.83
Rot. Bonds3

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

4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine (PubChem CID 130367037) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine.

Molecular Properties

Compound Name4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine
PubChem CID130367037
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine
SMILESO=S(=O)(c1ccc(C2CCNCC2)c2ccccc12)C1CCNCC1
InChIInChI=1S/C20H26N2O2S/c23-25(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
InChIKeyUOFJWHYYHCZJQJ-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromophenyl)sulfonylpiperidine
CID 11023104
4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine
CID 145358951
2-piperidin-4-ylbenzenesulfonyl chloride
CID 19811017
4-(2-chlorophenyl)sulfonylazepane
CID 115070332
N-methyl-3-piperidin-4-ylsulfonylaniline
CID 139989076
4-(2-chloro-4-fluorophenyl)sulfonylpiperidine
CID 170075092
3-(4-methylnaphthalen-1-yl)pyrrolidine
CID 70971659
2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole
CID 59730555
2-piperidin-4-ylnaphthalene-1-carboxylic acid
CID 67297193
(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
CID 67495805
1-piperidin-4-yl-9H-carbazole
CID 151051722
3-piperidin-4-ylsulfonylphenol
CID 84702713

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine?
The IUPAC name of 4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine (CID 130367037) is 4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine.
What is the SMILES notation for 4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine?
The canonical SMILES for 4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine is O=S(=O)(c1ccc(C2CCNCC2)c2ccccc12)C1CCNCC1.
What is the InChIKey of 4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine?
The InChIKey is UOFJWHYYHCZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c23-25(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-ylsulfonylnaphthalen-1-yl)piperidine?
4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine has a molecular weight of 358.51 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-4-ylsulfonylnaphthalen-1-yl)piperidine is sourced from PubChem (CID 130367037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).