5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C22H28N4O2 — CID 118007232

About 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118007232) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
• PubChem CID: 118007232
• Molecular Formula: C22H28N4O2
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.22
• IUPAC Name: 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
• SMILES: C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CN2CCCCC2CO)O1
• InChI: InChI=1S/C22H28N4O2/c1-16-12-26(14-19(28-16)13-25-10-3-2-5-18(25)15-27)21-8-7-17(11-23)22-20(21)6-4-9-24-22/h4,6-9,16,18-19,27H,2-3,5,10,12-15H2,1H3/t16-,18?,19-/m1/s1
• InChIKey: OWPIULAQZYCDKI-LPZUGFHBSA-N
• XLogP: 2.55
• TPSA: 72.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?

The IUPAC name of 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 118007232) is 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

What is the SMILES notation for 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?

The canonical SMILES for 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CN2CCCCC2CO)O1.

What is the InChIKey of 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?

The InChIKey is OWPIULAQZYCDKI-LPZUGFHBSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-12-26(14-19(28-16)13-25-10-3-2-5-18(25)15-27)21-8-7-17(11-23)22-20(21)6-4-9-24-22/h4,6-9,16,18-19,27H,2-3,5,10,12-15H2,1H3/t16-,18?,19-/m1/s1.

What are the key properties of 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?

5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 380.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118007232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).