2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine

C24H24F3N3O — CID 24800225

IUPAC2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(-c2ccncc2)c1
InChIInChI=1S/C24H24F3N3O/c25-24(26,27)20-14-21(30-22(15-20)18-6-10-28-11-7-18)16-31-17-23(8-12-29-13-9-23)19-4-2-1-3-5-19/h1-7,10-11,14-15,29H,8-9,12-13,16-17H2
InChIKeyXCHIYCWSBLRQBN-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.00
Rot. Bonds6

About 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine

2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine (PubChem CID 24800225) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
PubChem CID24800225
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(-c2ccncc2)c1
InChIInChI=1S/C24H24F3N3O/c25-24(26,27)20-14-21(30-22(15-20)18-6-10-28-11-7-18)16-31-17-23(8-12-29-13-9-23)19-4-2-1-3-5-19/h1-7,10-11,14-15,29H,8-9,12-13,16-17H2
InChIKeyXCHIYCWSBLRQBN-UHFFFAOYSA-N
XLogP5.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 3162
CID 3162
CID 24785712
CID 24785712
CID 24785977
CID 24785977
CID 24800231
CID 24800231
CID 24800398
CID 24800398
CID 24800927
CID 24800927
CID 24801101
CID 24801101
CID 24801459
CID 24801459
CID 25176461
CID 25176461
CID 25176462
CID 25176462
CID 58993510
CID 58993510
CID 58993629
CID 58993629

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine (CID 24800225) is 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(-c2ccncc2)c1.
What is the InChIKey of 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The InChIKey is XCHIYCWSBLRQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c25-24(26,27)20-14-21(30-22(15-20)18-6-10-28-11-7-18)16-31-17-23(8-12-29-13-9-23)19-4-2-1-3-5-19/h1-7,10-11,14-15,29H,8-9,12-13,16-17H2.
What are the key properties of 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine has a molecular weight of 427.47 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24800225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).