4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine

C22H21Cl2N3O — CID 69009942

IUPAC4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
SMILESClc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1Cl
InChIInChI=1S/C22H21Cl2N3O/c23-19-7-1-6-18(21(19)24)22(27-10-12-28-13-11-27)20(16-4-2-8-25-14-16)17-5-3-9-26-15-17/h1-9,14-15,20,22H,10-13H2
InChIKeyCLZZXPXAFKDINL-UHFFFAOYSA-N
MW414.34 g/mol
LogP4.99
Rot. Bonds5

About 4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine

4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine (PubChem CID 69009942) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is 4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine.

Molecular Properties

Compound Name4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
PubChem CID69009942
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC Name4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
SMILESClc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1Cl
InChIInChI=1S/C22H21Cl2N3O/c23-19-7-1-6-18(21(19)24)22(27-10-12-28-13-11-27)20(16-4-2-8-25-14-16)17-5-3-9-26-15-17/h1-9,14-15,20,22H,10-13H2
InChIKeyCLZZXPXAFKDINL-UHFFFAOYSA-N
XLogP4.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
CID 66962797
3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile
CID 57425770
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
CID 11163071
methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
CID 91421264
(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetonitrile
CID 1478936
(1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol
CID 23585629
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506424
tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
CID 90939785
(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203647
(2R)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203648

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine?
The IUPAC name of 4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine (CID 69009942) is 4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine.
What is the SMILES notation for 4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine?
The canonical SMILES for 4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine is Clc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1Cl.
What is the InChIKey of 4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine?
The InChIKey is CLZZXPXAFKDINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c23-19-7-1-6-18(21(19)24)22(27-10-12-28-13-11-27)20(16-4-2-8-25-14-16)17-5-3-9-26-15-17/h1-9,14-15,20,22H,10-13H2.
What are the key properties of 4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine?
4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine has a molecular weight of 414.34 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine is sourced from PubChem (CID 69009942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).