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

C24H29Cl2N3O — CID 122554560

IUPAC4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cc(N3CCC(N4CCOCC4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H27N3O.2ClH/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;;/h1-9,18,20H,10-17H2;2*1H
InChIKeyINAPWJCBIADQKH-UHFFFAOYSA-N
MW446.42 g/mol
LogP5.05
Rot. Bonds3

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

4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride (PubChem CID 122554560) has the molecular formula C24H29Cl2N3O and a molecular weight of 446.42 g/mol. Its IUPAC name is 4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride
PubChem CID122554560
Molecular FormulaC24H29Cl2N3O
Molecular Weight446.42 g/mol
Exact Mass445.17
IUPAC Name4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cc(N3CCC(N4CCOCC4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H27N3O.2ClH/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;;/h1-9,18,20H,10-17H2;2*1H
InChIKeyINAPWJCBIADQKH-UHFFFAOYSA-N
XLogP5.05
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride?
The IUPAC name of 4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride (CID 122554560) is 4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride?
The canonical SMILES for 4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride is Cl.Cl.c1ccc(-c2cc(N3CCC(N4CCOCC4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride?
The InChIKey is INAPWJCBIADQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O.2ClH/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;;/h1-9,18,20H,10-17H2;2*1H.
What are the key properties of 4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride?
4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride has a molecular weight of 446.42 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride is sourced from PubChem (CID 122554560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).