2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline

C24H27N3O2 — CID 54670307

IUPAC2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
SMILESc1cnc(OC2CCN(c3ccc4ccccc4n3)CC2)c(C2CCOCC2)c1
InChIInChI=1S/C24H27N3O2/c1-2-6-22-19(4-1)7-8-23(26-22)27-14-9-20(10-15-27)29-24-21(5-3-13-25-24)18-11-16-28-17-12-18/h1-8,13,18,20H,9-12,14-17H2
InChIKeyMXYQCTJUZGRZLB-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.57
Rot. Bonds4

About 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline

2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline (PubChem CID 54670307) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
PubChem CID54670307
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
SMILESc1cnc(OC2CCN(c3ccc4ccccc4n3)CC2)c(C2CCOCC2)c1
InChIInChI=1S/C24H27N3O2/c1-2-6-22-19(4-1)7-8-23(26-22)27-14-9-20(10-15-27)29-24-21(5-3-13-25-24)18-11-16-28-17-12-18/h1-8,13,18,20H,9-12,14-17H2
InChIKeyMXYQCTJUZGRZLB-UHFFFAOYSA-N
XLogP4.57
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
The IUPAC name of 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline (CID 54670307) is 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline.
What is the SMILES notation for 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
The canonical SMILES for 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline is c1cnc(OC2CCN(c3ccc4ccccc4n3)CC2)c(C2CCOCC2)c1.
What is the InChIKey of 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
The InChIKey is MXYQCTJUZGRZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-6-22-19(4-1)7-8-23(26-22)27-14-9-20(10-15-27)29-24-21(5-3-13-25-24)18-11-16-28-17-12-18/h1-8,13,18,20H,9-12,14-17H2.
What are the key properties of 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline?
2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline has a molecular weight of 389.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline is sourced from PubChem (CID 54670307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).