4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine

C15H20N4 — CID 83060658

IUPAC4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine
SMILESCN1CCCC(Nc2ccnc3c(N)cccc23)C1
InChIInChI=1S/C15H20N4/c1-19-9-3-4-11(10-19)18-14-7-8-17-15-12(14)5-2-6-13(15)16/h2,5-8,11H,3-4,9-10,16H2,1H3,(H,17,18)
InChIKeyLYXDLSFEOZFQCP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.32
Rot. Bonds2

About 4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine

4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine (PubChem CID 83060658) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine
PubChem CID83060658
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine
SMILESCN1CCCC(Nc2ccnc3c(N)cccc23)C1
InChIInChI=1S/C15H20N4/c1-19-9-3-4-11(10-19)18-14-7-8-17-15-12(14)5-2-6-13(15)16/h2,5-8,11H,3-4,9-10,16H2,1H3,(H,17,18)
InChIKeyLYXDLSFEOZFQCP-UHFFFAOYSA-N
XLogP2.32
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
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 4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine (CID 83060658) is 4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine is CN1CCCC(Nc2ccnc3c(N)cccc23)C1.
What is the InChIKey of 4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine?
The InChIKey is LYXDLSFEOZFQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19-9-3-4-11(10-19)18-14-7-8-17-15-12(14)5-2-6-13(15)16/h2,5-8,11H,3-4,9-10,16H2,1H3,(H,17,18).
What are the key properties of 4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine?
4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine is sourced from PubChem (CID 83060658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).