4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine

C29H32F3N3O2 — CID 24785711

IUPAC4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C29H32F3N3O2/c30-29(31,32)26-17-22(20-37-21-28(8-10-33-11-9-28)25-4-2-1-3-5-25)16-24(18-26)23-6-7-27(34-19-23)35-12-14-36-15-13-35/h1-7,16-19,33H,8-15,20-21H2
InChIKeyXBUYJGGXPBTVAY-UHFFFAOYSA-N
MW511.59 g/mol
LogP5.44
Rot. Bonds7

About 4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine

4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine (PubChem CID 24785711) has the molecular formula C29H32F3N3O2 and a molecular weight of 511.59 g/mol. Its IUPAC name is 4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine
PubChem CID24785711
Molecular FormulaC29H32F3N3O2
Molecular Weight511.59 g/mol
Exact Mass511.24
IUPAC Name4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C29H32F3N3O2/c30-29(31,32)26-17-22(20-37-21-28(8-10-33-11-9-28)25-4-2-1-3-5-25)16-24(18-26)23-6-7-27(34-19-23)35-12-14-36-15-13-35/h1-7,16-19,33H,8-15,20-21H2
InChIKeyXBUYJGGXPBTVAY-UHFFFAOYSA-N
XLogP5.44
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
4-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785977
6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N-pentan-3-yl-4-(trifluoromethyl)pyridin-2-amine
CID 24799364
N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 24799365
1-Methyl-4-(6-(((4-phenylpiperidin-4-yl)methoxy)methyl)-4-(trifluoromethyl)pyridine-2-yl)piperazine
CID 24800577
2-[(4-Phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine
CID 24800578
(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
(S)-5-((2-phenylmorpholino)methyl)-N-p-tolylpyridin-2-amine
CID 24955527
5-[2-Morpholin-4-yl-6-(2-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507503
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 68325509
N-[4-[(2S)-morpholin-2-yl]phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 68325571

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine (CID 24785711) is 4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(N3CCOCC3)nc2)c1.
What is the InChIKey of 4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine?
The InChIKey is XBUYJGGXPBTVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N3O2/c30-29(31,32)26-17-22(20-37-21-28(8-10-33-11-9-28)25-4-2-1-3-5-25)16-24(18-26)23-6-7-27(34-19-23)35-12-14-36-15-13-35/h1-7,16-19,33H,8-15,20-21H2.
What are the key properties of 4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine?
4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine has a molecular weight of 511.59 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 24785711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).