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

C22H22ClN3O — CID 66962797

IUPAC4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
SMILESClc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C22H22ClN3O/c23-20-7-1-4-17(14-20)22(26-10-12-27-13-11-26)21(18-5-2-8-24-15-18)19-6-3-9-25-16-19/h1-9,14-16,21-22H,10-13H2
InChIKeyXUOMPHBFMZWGCV-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.34
Rot. Bonds5

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

4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine (PubChem CID 66962797) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
PubChem CID66962797
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
SMILESClc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C22H22ClN3O/c23-20-7-1-4-17(14-20)22(26-10-12-27-13-11-26)21(18-5-2-8-24-15-18)19-6-3-9-25-16-19/h1-9,14-16,21-22H,10-13H2
InChIKeyXUOMPHBFMZWGCV-UHFFFAOYSA-N
XLogP4.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile
CID 57425770
4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
CID 69009942
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
(2R)-N-[1-(3-chlorophenyl)cyclopropyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97282888
1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine
CID 3810529
N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine
CID 95312339
1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987402
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
(2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one
CID 1403980
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
CID 90939785

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine?
The IUPAC name of 4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine (CID 66962797) is 4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine.
What is the SMILES notation for 4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine?
The canonical SMILES for 4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine is Clc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1.
What is the InChIKey of 4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine?
The InChIKey is XUOMPHBFMZWGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-20-7-1-4-17(14-20)22(26-10-12-27-13-11-26)21(18-5-2-8-24-15-18)19-6-3-9-25-16-19/h1-9,14-16,21-22H,10-13H2.
What are the key properties of 4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine?
4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine has a molecular weight of 379.89 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine is sourced from PubChem (CID 66962797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).