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

C23H21F3N2O — CID 23585156

IUPAC(2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine
SMILESFC(F)(F)c1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C23H21F3N2O/c24-23(25,26)20-9-5-4-8-19(20)21-11-10-17(14-27-21)15-28-12-13-29-22(16-28)18-6-2-1-3-7-18/h1-11,14,22H,12-13,15-16H2/t22-/m1/s1
InChIKeyKTNHCANDRPSCRF-JOCHJYFZSA-N
MW398.43 g/mol
LogP5.34
Rot. Bonds4

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

(2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine (PubChem CID 23585156) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is (2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine
PubChem CID23585156
Molecular FormulaC23H21F3N2O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name(2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine
SMILESFC(F)(F)c1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C23H21F3N2O/c24-23(25,26)20-9-5-4-8-19(20)21-11-10-17(14-27-21)15-28-12-13-29-22(16-28)18-6-2-1-3-7-18/h1-11,14,22H,12-13,15-16H2/t22-/m1/s1
InChIKeyKTNHCANDRPSCRF-JOCHJYFZSA-N
XLogP5.34
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

Doxylamine
CID 3162
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
[4-(2-Benzhydryloxy-acetyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10433384
trans-(+)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11187225
(-)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11256620
5-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 24785712
4-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785977
2-Cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
CID 25176461
1-pyridin-2-yl-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57404021
2-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 58993510
N-Desmethyldoxylamine
CID 135338

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine?
The IUPAC name of (2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine (CID 23585156) is (2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine.
What is the SMILES notation for (2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine?
The canonical SMILES for (2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine is FC(F)(F)c1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cn1.
What is the InChIKey of (2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine?
The InChIKey is KTNHCANDRPSCRF-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21F3N2O/c24-23(25,26)20-9-5-4-8-19(20)21-11-10-17(14-27-21)15-28-12-13-29-22(16-28)18-6-2-1-3-7-18/h1-11,14,22H,12-13,15-16H2/t22-/m1/s1.
What are the key properties of (2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine?
(2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine has a molecular weight of 398.43 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-4-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]morpholine is sourced from PubChem (CID 23585156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).