2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile

C16H17N3O — CID 103896118

IUPAC2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile
SMILESCC1CCN(c2nc3ccccc3cc2C#N)CC1O
InChIInChI=1S/C16H17N3O/c1-11-6-7-19(10-15(11)20)16-13(9-17)8-12-4-2-3-5-14(12)18-16/h2-5,8,11,15,20H,6-7,10H2,1H3
InChIKeyIAAAIRZCJYIWEX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.31
Rot. Bonds1

About 2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile

2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile (PubChem CID 103896118) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile
PubChem CID103896118
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile
SMILESCC1CCN(c2nc3ccccc3cc2C#N)CC1O
InChIInChI=1S/C16H17N3O/c1-11-6-7-19(10-15(11)20)16-13(9-17)8-12-4-2-3-5-14(12)18-16/h2-5,8,11,15,20H,6-7,10H2,1H3
InChIKeyIAAAIRZCJYIWEX-UHFFFAOYSA-N
XLogP2.31
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile (CID 103896118) is 2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile is CC1CCN(c2nc3ccccc3cc2C#N)CC1O.
What is the InChIKey of 2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile?
The InChIKey is IAAAIRZCJYIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-6-7-19(10-15(11)20)16-13(9-17)8-12-4-2-3-5-14(12)18-16/h2-5,8,11,15,20H,6-7,10H2,1H3.
What are the key properties of 2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile?
2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 103896118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).