5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile

C17H20N4 — CID 121411610

IUPAC5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile
SMILESCN[C@@H]1C[C@H](C)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C17H20N4/c1-12-8-14(19-2)11-21(10-12)16-6-5-13(9-18)17-15(16)4-3-7-20-17/h3-7,12,14,19H,8,10-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyIMXGIEMHMXNTEI-GXTWGEPZSA-N
MW280.38 g/mol
LogP2.54
Rot. Bonds2

About 5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile

5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile (PubChem CID 121411610) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile
PubChem CID121411610
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile
SMILESCN[C@@H]1C[C@H](C)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C17H20N4/c1-12-8-14(19-2)11-21(10-12)16-6-5-13(9-18)17-15(16)4-3-7-20-17/h3-7,12,14,19H,8,10-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyIMXGIEMHMXNTEI-GXTWGEPZSA-N
XLogP2.54
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile (CID 121411610) is 5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile is CN[C@@H]1C[C@H](C)CN(c2ccc(C#N)c3ncccc23)C1.
What is the InChIKey of 5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile?
The InChIKey is IMXGIEMHMXNTEI-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-8-14(19-2)11-21(10-12)16-6-5-13(9-18)17-15(16)4-3-7-20-17/h3-7,12,14,19H,8,10-11H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of 5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile?
5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile has a molecular weight of 280.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 121411610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).