7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline

C22H24N2O2 — CID 134242877

IUPAC7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline
SMILESc1ccc(OC2CCN(CCOc3ccc4cccnc4c3)CC2)cc1
InChIInChI=1S/C22H24N2O2/c1-2-6-19(7-3-1)26-20-10-13-24(14-11-20)15-16-25-21-9-8-18-5-4-12-23-22(18)17-21/h1-9,12,17,20H,10-11,13-16H2
InChIKeyQYXSRMCYDDNZFM-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.16
Rot. Bonds6

About 7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline

7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline (PubChem CID 134242877) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline.

Molecular Properties

Compound Name7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline
PubChem CID134242877
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline
SMILESc1ccc(OC2CCN(CCOc3ccc4cccnc4c3)CC2)cc1
InChIInChI=1S/C22H24N2O2/c1-2-6-19(7-3-1)26-20-10-13-24(14-11-20)15-16-25-21-9-8-18-5-4-12-23-22(18)17-21/h1-9,12,17,20H,10-11,13-16H2
InChIKeyQYXSRMCYDDNZFM-UHFFFAOYSA-N
XLogP4.16
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline?
The IUPAC name of 7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline (CID 134242877) is 7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline.
What is the SMILES notation for 7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline?
The canonical SMILES for 7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline is c1ccc(OC2CCN(CCOc3ccc4cccnc4c3)CC2)cc1.
What is the InChIKey of 7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline?
The InChIKey is QYXSRMCYDDNZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-6-19(7-3-1)26-20-10-13-24(14-11-20)15-16-25-21-9-8-18-5-4-12-23-22(18)17-21/h1-9,12,17,20H,10-11,13-16H2.
What are the key properties of 7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline?
7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline has a molecular weight of 348.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline is sourced from PubChem (CID 134242877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).