3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine

C18H17Cl2N3 — CID 67404897

IUPAC3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine
SMILESClc1ccc(-c2cn(C3CCNCC3)c3ccncc23)cc1Cl
InChIInChI=1S/C18H17Cl2N3/c19-16-2-1-12(9-17(16)20)15-11-23(13-3-6-21-7-4-13)18-5-8-22-10-14(15)18/h1-2,5,8-11,13,21H,3-4,6-7H2
InChIKeyDXYHKIYYCAKPQJ-UHFFFAOYSA-N
MW346.26 g/mol
LogP4.93
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine

3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine (PubChem CID 67404897) has the molecular formula C18H17Cl2N3 and a molecular weight of 346.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine
PubChem CID67404897
Molecular FormulaC18H17Cl2N3
Molecular Weight346.26 g/mol
Exact Mass345.08
IUPAC Name3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine
SMILESClc1ccc(-c2cn(C3CCNCC3)c3ccncc23)cc1Cl
InChIInChI=1S/C18H17Cl2N3/c19-16-2-1-12(9-17(16)20)15-11-23(13-3-6-21-7-4-13)18-5-8-22-10-14(15)18/h1-2,5,8-11,13,21H,3-4,6-7H2
InChIKeyDXYHKIYYCAKPQJ-UHFFFAOYSA-N
XLogP4.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine (CID 67404897) is 3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine is Clc1ccc(-c2cn(C3CCNCC3)c3ccncc23)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine?
The InChIKey is DXYHKIYYCAKPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3/c19-16-2-1-12(9-17(16)20)15-11-23(13-3-6-21-7-4-13)18-5-8-22-10-14(15)18/h1-2,5,8-11,13,21H,3-4,6-7H2.
What are the key properties of 3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine?
3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine has a molecular weight of 346.26 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 67404897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).