4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine

C23H22F3N3O2 — CID 143520405

IUPAC4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine
SMILESFC(F)(F)Oc1cccc(-c2ncccc2CC(c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-1-4-17(14-20)22-18(5-3-9-28-22)15-21(19-6-2-8-27-16-19)29-10-12-30-13-11-29/h1-9,14,16,21H,10-13,15H2
InChIKeyDHPDHKUSRCEGSJ-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.66
Rot. Bonds6

About 4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine

4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine (PubChem CID 143520405) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine
PubChem CID143520405
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine
SMILESFC(F)(F)Oc1cccc(-c2ncccc2CC(c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-1-4-17(14-20)22-18(5-3-9-28-22)15-21(19-6-2-8-27-16-19)29-10-12-30-13-11-29/h1-9,14,16,21H,10-13,15H2
InChIKeyDHPDHKUSRCEGSJ-UHFFFAOYSA-N
XLogP4.66
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 35390128
(1R,2S)-1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol
CID 23585629
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
(1R)-2-morpholin-4-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 126446750
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
(2R)-2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 30114876
1-[(R)-pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287676
N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine
CID 143520393
1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506424
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787
N'-(4-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]oxamide
CID 92680930

Frequently Asked Questions

What is the IUPAC name of 4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine?
The IUPAC name of 4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine (CID 143520405) is 4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine.
What is the SMILES notation for 4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine?
The canonical SMILES for 4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine is FC(F)(F)Oc1cccc(-c2ncccc2CC(c2cccnc2)N2CCOCC2)c1.
What is the InChIKey of 4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine?
The InChIKey is DHPDHKUSRCEGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-1-4-17(14-20)22-18(5-3-9-28-22)15-21(19-6-2-8-27-16-19)29-10-12-30-13-11-29/h1-9,14,16,21H,10-13,15H2.
What are the key properties of 4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine?
4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine has a molecular weight of 429.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine is sourced from PubChem (CID 143520405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).