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

C21H21ClN2 — CID 70459272

IUPAC2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
SMILESCC1CCN(c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
InChIInChI=1S/C21H21ClN2/c1-15-10-12-24(13-11-15)21-14-20(16-6-8-17(22)9-7-16)23-19-5-3-2-4-18(19)21/h2-9,14-15H,10-13H2,1H3
InChIKeyTYYJZVMMJCVTHG-UHFFFAOYSA-N
MW336.87 g/mol
LogP5.79
Rot. Bonds2

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

2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline (PubChem CID 70459272) has the molecular formula C21H21ClN2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
PubChem CID70459272
Molecular FormulaC21H21ClN2
Molecular Weight336.87 g/mol
Exact Mass336.14
IUPAC Name2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
SMILESCC1CCN(c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
InChIInChI=1S/C21H21ClN2/c1-15-10-12-24(13-11-15)21-14-20(16-6-8-17(22)9-7-16)23-19-5-3-2-4-18(19)21/h2-9,14-15H,10-13H2,1H3
InChIKeyTYYJZVMMJCVTHG-UHFFFAOYSA-N
XLogP5.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.87
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline (CID 70459272) is 2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline is CC1CCN(c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline?
The InChIKey is TYYJZVMMJCVTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2/c1-15-10-12-24(13-11-15)21-14-20(16-6-8-17(22)9-7-16)23-19-5-3-2-4-18(19)21/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline?
2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline has a molecular weight of 336.87 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 70459272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).