2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine

C17H20N2S — CID 89470125

IUPAC2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine
SMILESCc1cccc(-c2ccc(SN3CCCCC3)cc2)n1
InChIInChI=1S/C17H20N2S/c1-14-6-5-7-17(18-14)15-8-10-16(11-9-15)20-19-12-3-2-4-13-19/h5-11H,2-4,12-13H2,1H3
InChIKeyPXQKQURVFUNYMO-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.55
Rot. Bonds3

About 2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine

2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine (PubChem CID 89470125) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine
PubChem CID89470125
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine
SMILESCc1cccc(-c2ccc(SN3CCCCC3)cc2)n1
InChIInChI=1S/C17H20N2S/c1-14-6-5-7-17(18-14)15-8-10-16(11-9-15)20-19-12-3-2-4-13-19/h5-11H,2-4,12-13H2,1H3
InChIKeyPXQKQURVFUNYMO-UHFFFAOYSA-N
XLogP4.55
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine?
The IUPAC name of 2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine (CID 89470125) is 2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine.
What is the SMILES notation for 2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine?
The canonical SMILES for 2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine is Cc1cccc(-c2ccc(SN3CCCCC3)cc2)n1.
What is the InChIKey of 2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine?
The InChIKey is PXQKQURVFUNYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-14-6-5-7-17(18-14)15-8-10-16(11-9-15)20-19-12-3-2-4-13-19/h5-11H,2-4,12-13H2,1H3.
What are the key properties of 2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine?
2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine has a molecular weight of 284.43 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine is sourced from PubChem (CID 89470125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).