4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile

C17H19N3O — CID 61217907

IUPAC4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile
SMILESCCOC1CCN(c2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C17H19N3O/c1-2-21-14-7-9-20(10-8-14)17-13(11-18)12-19-16-6-4-3-5-15(16)17/h3-6,12,14H,2,7-10H2,1H3
InChIKeyPGCNGCYLOHTQGI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.11
Rot. Bonds3

About 4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile

4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile (PubChem CID 61217907) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile
PubChem CID61217907
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile
SMILESCCOC1CCN(c2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C17H19N3O/c1-2-21-14-7-9-20(10-8-14)17-13(11-18)12-19-16-6-4-3-5-15(16)17/h3-6,12,14H,2,7-10H2,1H3
InChIKeyPGCNGCYLOHTQGI-UHFFFAOYSA-N
XLogP3.11
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile (CID 61217907) is 4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile is CCOC1CCN(c2c(C#N)cnc3ccccc23)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile?
The InChIKey is PGCNGCYLOHTQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-21-14-7-9-20(10-8-14)17-13(11-18)12-19-16-6-4-3-5-15(16)17/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of 4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile?
4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 61217907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).