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

C23H22F3N3O — CID 125008959

IUPAC(2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1ccccc1Cc1cccc([C@@H]2CN(Cc3cccnc3)CCO2)n1
InChIInChI=1S/C23H22F3N3O/c24-23(25,26)20-8-2-1-6-18(20)13-19-7-3-9-21(28-19)22-16-29(11-12-30-22)15-17-5-4-10-27-14-17/h1-10,14,22H,11-13,15-16H2/t22-/m0/s1
InChIKeyUYXSVYLSKNZWFQ-QFIPXVFZSA-N
MW413.44 g/mol
LogP4.66
Rot. Bonds5

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

(2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine (PubChem CID 125008959) has the molecular formula C23H22F3N3O and a molecular weight of 413.44 g/mol. Its IUPAC name is (2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
PubChem CID125008959
Molecular FormulaC23H22F3N3O
Molecular Weight413.44 g/mol
Exact Mass413.17
IUPAC Name(2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1ccccc1Cc1cccc([C@@H]2CN(Cc3cccnc3)CCO2)n1
InChIInChI=1S/C23H22F3N3O/c24-23(25,26)20-8-2-1-6-18(20)13-19-7-3-9-21(28-19)22-16-29(11-12-30-22)15-17-5-4-10-27-14-17/h1-10,14,22H,11-13,15-16H2/t22-/m0/s1
InChIKeyUYXSVYLSKNZWFQ-QFIPXVFZSA-N
XLogP4.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3162
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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
1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402299
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
1-(2-Benzhydryloxy-ethyl)-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10669551
3-{3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-propyl}-pyridine
CID 10740538

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
The IUPAC name of (2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine (CID 125008959) is (2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine.
What is the SMILES notation for (2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
The canonical SMILES for (2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine is FC(F)(F)c1ccccc1Cc1cccc([C@@H]2CN(Cc3cccnc3)CCO2)n1.
What is the InChIKey of (2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
The InChIKey is UYXSVYLSKNZWFQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22F3N3O/c24-23(25,26)20-8-2-1-6-18(20)13-19-7-3-9-21(28-19)22-16-29(11-12-30-22)15-17-5-4-10-27-14-17/h1-10,14,22H,11-13,15-16H2/t22-/m0/s1.
What are the key properties of (2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine?
(2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine has a molecular weight of 413.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 125008959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).