2-(4-methylpiperazin-1-yl)quinoline

C14H17N3 — CID 5013

IUPAC2-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h2-7H,8-11H2,1H3
InChIKeyHOMWNUXPSJQSSU-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.99
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)quinoline

2-(4-methylpiperazin-1-yl)quinoline (PubChem CID 5013) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)quinoline
PubChem CID5013
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h2-7H,8-11H2,1H3
InChIKeyHOMWNUXPSJQSSU-UHFFFAOYSA-N
XLogP1.99
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)quinoline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)quinoline (CID 5013) is 2-(4-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)quinoline is CN1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)quinoline?
The InChIKey is HOMWNUXPSJQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h2-7H,8-11H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)quinoline?
2-(4-methylpiperazin-1-yl)quinoline has a molecular weight of 227.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 5013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).