2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline

C22H24N2 — CID 135294181

IUPAC2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
SMILESCc1ccc(-c2cc(N3CCC(C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H24N2/c1-16-7-9-18(10-8-16)21-15-22(24-13-11-17(2)12-14-24)19-5-3-4-6-20(19)23-21/h3-10,15,17H,11-14H2,1-2H3
InChIKeyNHAMYUJVEXSYKD-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.45
Rot. Bonds2

About 2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline

2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline (PubChem CID 135294181) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
PubChem CID135294181
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
SMILESCc1ccc(-c2cc(N3CCC(C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H24N2/c1-16-7-9-18(10-8-16)21-15-22(24-13-11-17(2)12-14-24)19-5-3-4-6-20(19)23-21/h3-10,15,17H,11-14H2,1-2H3
InChIKeyNHAMYUJVEXSYKD-UHFFFAOYSA-N
XLogP5.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline?
The IUPAC name of 2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline (CID 135294181) is 2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline is Cc1ccc(-c2cc(N3CCC(C)CC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline?
The InChIKey is NHAMYUJVEXSYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-16-7-9-18(10-8-16)21-15-22(24-13-11-17(2)12-14-24)19-5-3-4-6-20(19)23-21/h3-10,15,17H,11-14H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline?
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline has a molecular weight of 316.45 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 135294181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).