2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C16H22N4 — CID 63641993

IUPAC2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(c1nc2c(cc1C#N)CCCC2)C1CCCNC1
InChIInChI=1S/C16H22N4/c1-20(14-6-4-8-18-11-14)16-13(10-17)9-12-5-2-3-7-15(12)19-16/h9,14,18H,2-8,11H2,1H3
InChIKeyCINXKDVPMXDUFD-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.02
Rot. Bonds2

About 2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 63641993) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID63641993
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(c1nc2c(cc1C#N)CCCC2)C1CCCNC1
InChIInChI=1S/C16H22N4/c1-20(14-6-4-8-18-11-14)16-13(10-17)9-12-5-2-3-7-15(12)19-16/h9,14,18H,2-8,11H2,1H3
InChIKeyCINXKDVPMXDUFD-UHFFFAOYSA-N
XLogP2.02
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 63641993) is 2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CN(c1nc2c(cc1C#N)CCCC2)C1CCCNC1.
What is the InChIKey of 2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is CINXKDVPMXDUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-20(14-6-4-8-18-11-14)16-13(10-17)9-12-5-2-3-7-15(12)19-16/h9,14,18H,2-8,11H2,1H3.
What are the key properties of 2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 63641993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).