(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine

C24H24F3N3O — CID 124992769

IUPAC(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine
SMILESCc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(Cc3cccnc3)CCO2)n1
InChIInChI=1S/C24H24F3N3O/c1-17-10-20(11-18-4-2-6-21(12-18)24(25,26)27)13-22(29-17)23-16-30(8-9-31-23)15-19-5-3-7-28-14-19/h2-7,10,12-14,23H,8-9,11,15-16H2,1H3/t23-/m0/s1
InChIKeyPTBKVNBLESSWOS-QHCPKHFHSA-N
MW427.47 g/mol
LogP4.97
Rot. Bonds5

About (2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine

(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine (PubChem CID 124992769) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is (2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine
PubChem CID124992769
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine
SMILESCc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(Cc3cccnc3)CCO2)n1
InChIInChI=1S/C24H24F3N3O/c1-17-10-20(11-18-4-2-6-21(12-18)24(25,26)27)13-22(29-17)23-16-30(8-9-31-23)15-19-5-3-7-28-14-19/h2-7,10,12-14,23H,8-9,11,15-16H2,1H3/t23-/m0/s1
InChIKeyPTBKVNBLESSWOS-QHCPKHFHSA-N
XLogP4.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine with MolForge

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Related Compounds

Doxylamine
CID 3162
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
(Z)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]methanimine
CID 45487674
2-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 58993510
N-Desmethyldoxylamine
CID 135338
3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-pyridine
CID 10548223
3-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)quinoline
CID 10552447
3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-quinoline
CID 10599113
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10599695
6-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)quinoline
CID 10624311
1-(2-Benzhydryloxy-ethyl)-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10669551
6-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-quinoline
CID 10717844

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine?
The IUPAC name of (2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine (CID 124992769) is (2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine is Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(Cc3cccnc3)CCO2)n1.
What is the InChIKey of (2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine?
The InChIKey is PTBKVNBLESSWOS-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-17-10-20(11-18-4-2-6-21(12-18)24(25,26)27)13-22(29-17)23-16-30(8-9-31-23)15-19-5-3-7-28-14-19/h2-7,10,12-14,23H,8-9,11,15-16H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine?
(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine has a molecular weight of 427.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-3-ylmethyl)morpholine is sourced from PubChem (CID 124992769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).