6-amino-2-piperidin-1-ylquinoline-3-carbonitrile

C15H16N4 — CID 28719765

IUPAC6-amino-2-piperidin-1-ylquinoline-3-carbonitrile
SMILESN#Cc1cc2cc(N)ccc2nc1N1CCCCC1
InChIInChI=1S/C15H16N4/c16-10-12-8-11-9-13(17)4-5-14(11)18-15(12)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,17H2
InChIKeyYPTHQBQDIMPLRI-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.68
Rot. Bonds1

About 6-amino-2-piperidin-1-ylquinoline-3-carbonitrile

6-amino-2-piperidin-1-ylquinoline-3-carbonitrile (PubChem CID 28719765) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-amino-2-piperidin-1-ylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-piperidin-1-ylquinoline-3-carbonitrile
PubChem CID28719765
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name6-amino-2-piperidin-1-ylquinoline-3-carbonitrile
SMILESN#Cc1cc2cc(N)ccc2nc1N1CCCCC1
InChIInChI=1S/C15H16N4/c16-10-12-8-11-9-13(17)4-5-14(11)18-15(12)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,17H2
InChIKeyYPTHQBQDIMPLRI-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-piperidin-1-ylquinoline-3-carbonitrile?
The IUPAC name of 6-amino-2-piperidin-1-ylquinoline-3-carbonitrile (CID 28719765) is 6-amino-2-piperidin-1-ylquinoline-3-carbonitrile.
What is the SMILES notation for 6-amino-2-piperidin-1-ylquinoline-3-carbonitrile?
The canonical SMILES for 6-amino-2-piperidin-1-ylquinoline-3-carbonitrile is N#Cc1cc2cc(N)ccc2nc1N1CCCCC1.
What is the InChIKey of 6-amino-2-piperidin-1-ylquinoline-3-carbonitrile?
The InChIKey is YPTHQBQDIMPLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-10-12-8-11-9-13(17)4-5-14(11)18-15(12)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,17H2.
What are the key properties of 6-amino-2-piperidin-1-ylquinoline-3-carbonitrile?
6-amino-2-piperidin-1-ylquinoline-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-piperidin-1-ylquinoline-3-carbonitrile is sourced from PubChem (CID 28719765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).