2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile

C15H16N4 — CID 63884859

IUPAC2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(N)CC2)nc2ccccc12
InChIInChI=1S/C15H16N4/c16-10-11-9-15(19-7-5-12(17)6-8-19)18-14-4-2-1-3-13(11)14/h1-4,9,12H,5-8,17H2
InChIKeyYPSXLAZQBVRSEN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.03
Rot. Bonds1

About 2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile

2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile (PubChem CID 63884859) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
PubChem CID63884859
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(N)CC2)nc2ccccc12
InChIInChI=1S/C15H16N4/c16-10-11-9-15(19-7-5-12(17)6-8-19)18-14-4-2-1-3-13(11)14/h1-4,9,12H,5-8,17H2
InChIKeyYPSXLAZQBVRSEN-UHFFFAOYSA-N
XLogP2.03
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile (CID 63884859) is 2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile is N#Cc1cc(N2CCC(N)CC2)nc2ccccc12.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile?
The InChIKey is YPSXLAZQBVRSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-10-11-9-15(19-7-5-12(17)6-8-19)18-14-4-2-1-3-13(11)14/h1-4,9,12H,5-8,17H2.
What are the key properties of 2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile?
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 63884859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).