1-methylpiperazine;quinoline-3-carbonitrile

C15H18N4 — CID 162042146

IUPAC1-methylpiperazine;quinoline-3-carbonitrile
SMILESCN1CCNCC1.N#Cc1cnc2ccccc2c1
InChIInChI=1S/C10H6N2.C5H12N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8;1-7-4-2-6-3-5-7/h1-5,7H;6H,2-5H2,1H3
InChIKeyYXKOVKNEHKFQNP-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.63
Rot. Bonds

About 1-methylpiperazine;quinoline-3-carbonitrile

1-methylpiperazine;quinoline-3-carbonitrile (PubChem CID 162042146) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-methylpiperazine;quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-methylpiperazine;quinoline-3-carbonitrile
PubChem CID162042146
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-methylpiperazine;quinoline-3-carbonitrile
SMILESCN1CCNCC1.N#Cc1cnc2ccccc2c1
InChIInChI=1S/C10H6N2.C5H12N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8;1-7-4-2-6-3-5-7/h1-5,7H;6H,2-5H2,1H3
InChIKeyYXKOVKNEHKFQNP-UHFFFAOYSA-N
XLogP1.63
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;quinoline-3-carbonitrile?
The IUPAC name of 1-methylpiperazine;quinoline-3-carbonitrile (CID 162042146) is 1-methylpiperazine;quinoline-3-carbonitrile.
What is the SMILES notation for 1-methylpiperazine;quinoline-3-carbonitrile?
The canonical SMILES for 1-methylpiperazine;quinoline-3-carbonitrile is CN1CCNCC1.N#Cc1cnc2ccccc2c1.
What is the InChIKey of 1-methylpiperazine;quinoline-3-carbonitrile?
The InChIKey is YXKOVKNEHKFQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2.C5H12N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8;1-7-4-2-6-3-5-7/h1-5,7H;6H,2-5H2,1H3.
What are the key properties of 1-methylpiperazine;quinoline-3-carbonitrile?
1-methylpiperazine;quinoline-3-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;quinoline-3-carbonitrile is sourced from PubChem (CID 162042146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).