2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline

C14H21N3 — CID 10704707

IUPAC2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline
SMILESCN1CCN(c2ccc3c(n2)CCCC3)CC1
InChIInChI=1S/C14H21N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h6-7H,2-5,8-11H2,1H3
InChIKeyAOMUMBJPJYKPFP-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.71
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline

2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 10704707) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID10704707
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline
SMILESCN1CCN(c2ccc3c(n2)CCCC3)CC1
InChIInChI=1S/C14H21N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h6-7H,2-5,8-11H2,1H3
InChIKeyAOMUMBJPJYKPFP-UHFFFAOYSA-N
XLogP1.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.71
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)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline (CID 10704707) is 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline is CN1CCN(c2ccc3c(n2)CCCC3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is AOMUMBJPJYKPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h6-7H,2-5,8-11H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline?
2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 231.34 g/mol, XLogP of 1.71, 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)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 10704707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).