ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine

C26H33N3O — CID 144714319

IUPACethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine
SMILESCC.c1ccc(-c2cc(N3CCC(N4CCOCC4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H27N3O.C2H6/c1-2-6-19(7-3-1)23-18-24(21-8-4-5-9-22(21)25-23)27-12-10-20(11-13-27)26-14-16-28-17-15-26;1-2/h1-9,18,20H,10-17H2;1-2H3
InChIKeyFOIGBOQNFBLKJN-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.23
Rot. Bonds3

About ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine

ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine (PubChem CID 144714319) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Nameethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine
PubChem CID144714319
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Nameethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine
SMILESCC.c1ccc(-c2cc(N3CCC(N4CCOCC4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H27N3O.C2H6/c1-2-6-19(7-3-1)23-18-24(21-8-4-5-9-22(21)25-23)27-12-10-20(11-13-27)26-14-16-28-17-15-26;1-2/h1-9,18,20H,10-17H2;1-2H3
InChIKeyFOIGBOQNFBLKJN-UHFFFAOYSA-N
XLogP5.23
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine?
The IUPAC name of ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine (CID 144714319) is ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine?
The canonical SMILES for ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine is CC.c1ccc(-c2cc(N3CCC(N4CCOCC4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine?
The InChIKey is FOIGBOQNFBLKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O.C2H6/c1-2-6-19(7-3-1)23-18-24(21-8-4-5-9-22(21)25-23)27-12-10-20(11-13-27)26-14-16-28-17-15-26;1-2/h1-9,18,20H,10-17H2;1-2H3.
What are the key properties of ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine?
ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine has a molecular weight of 403.57 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 144714319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).