2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride

C17H24Cl2N4O2S — CID 154900025

IUPAC2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCl.Cl.O=S(=O)(c1ccc(-c2nc3c([nH]2)CNCC3)cc1)N1CCCCC1
InChIInChI=1S/C17H22N4O2S.2ClH/c22-24(23,21-10-2-1-3-11-21)14-6-4-13(5-7-14)17-19-15-8-9-18-12-16(15)20-17;;/h4-7,18H,1-3,8-12H2,(H,19,20);2*1H
InChIKeySUQSZOBFHWQLGG-UHFFFAOYSA-N
MW419.38 g/mol
LogP2.74
Rot. Bonds3

About 2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride

2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (PubChem CID 154900025) has the molecular formula C17H24Cl2N4O2S and a molecular weight of 419.38 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
PubChem CID154900025
Molecular FormulaC17H24Cl2N4O2S
Molecular Weight419.38 g/mol
Exact Mass418.10
IUPAC Name2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCl.Cl.O=S(=O)(c1ccc(-c2nc3c([nH]2)CNCC3)cc1)N1CCCCC1
InChIInChI=1S/C17H22N4O2S.2ClH/c22-24(23,21-10-2-1-3-11-21)14-6-4-13(5-7-14)17-19-15-8-9-18-12-16(15)20-17;;/h4-7,18H,1-3,8-12H2,(H,19,20);2*1H
InChIKeySUQSZOBFHWQLGG-UHFFFAOYSA-N
XLogP2.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (CID 154900025) is 2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is Cl.Cl.O=S(=O)(c1ccc(-c2nc3c([nH]2)CNCC3)cc1)N1CCCCC1.
What is the InChIKey of 2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The InChIKey is SUQSZOBFHWQLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.2ClH/c22-24(23,21-10-2-1-3-11-21)14-6-4-13(5-7-14)17-19-15-8-9-18-12-16(15)20-17;;/h4-7,18H,1-3,8-12H2,(H,19,20);2*1H.
What are the key properties of 2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride has a molecular weight of 419.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 154900025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).