3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

C16H24N2 — CID 55061951

IUPAC3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCN(C2CNc3ccccc3C2)C(C)C1
InChIInChI=1S/C16H24N2/c1-12-7-8-18(13(2)9-12)15-10-14-5-3-4-6-16(14)17-11-15/h3-6,12-13,15,17H,7-11H2,1-2H3
InChIKeyJAXWMVGTGLZHQU-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.14
Rot. Bonds1

About 3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 55061951) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID55061951
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCN(C2CNc3ccccc3C2)C(C)C1
InChIInChI=1S/C16H24N2/c1-12-7-8-18(13(2)9-12)15-10-14-5-3-4-6-16(14)17-11-15/h3-6,12-13,15,17H,7-11H2,1-2H3
InChIKeyJAXWMVGTGLZHQU-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 55061951) is 3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is CC1CCN(C2CNc3ccccc3C2)C(C)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is JAXWMVGTGLZHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-7-8-18(13(2)9-12)15-10-14-5-3-4-6-16(14)17-11-15/h3-6,12-13,15,17H,7-11H2,1-2H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 244.38 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 55061951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).