4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide

C18H22BrNS — CID 24751582

IUPAC4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide
SMILESBr.Cc1ccc(Sc2ccccc2C2CCNCC2)cc1
InChIInChI=1S/C18H21NS.BrH/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15;/h2-9,15,19H,10-13H2,1H3;1H
InChIKeyOJVYWXLMPZJYGV-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.19
Rot. Bonds3

About 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide

4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide (PubChem CID 24751582) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide
PubChem CID24751582
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide
SMILESBr.Cc1ccc(Sc2ccccc2C2CCNCC2)cc1
InChIInChI=1S/C18H21NS.BrH/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15;/h2-9,15,19H,10-13H2,1H3;1H
InChIKeyOJVYWXLMPZJYGV-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide?
The IUPAC name of 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide (CID 24751582) is 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide.
What is the SMILES notation for 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide?
The canonical SMILES for 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide is Br.Cc1ccc(Sc2ccccc2C2CCNCC2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide?
The InChIKey is OJVYWXLMPZJYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS.BrH/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15;/h2-9,15,19H,10-13H2,1H3;1H.
What are the key properties of 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide?
4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide has a molecular weight of 364.35 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide is sourced from PubChem (CID 24751582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).