2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

C26H27F3N2O — CID 24785976

IUPAC2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C26H27F3N2O/c1-19-13-21(7-10-31-19)22-14-20(15-24(16-22)26(27,28)29)17-32-18-25(8-11-30-12-9-25)23-5-3-2-4-6-23/h2-7,10,13-16,30H,8-9,11-12,17-18H2,1H3
InChIKeyQEGWNYUDHAQFMX-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.91
Rot. Bonds6

About 2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 24785976) has the molecular formula C26H27F3N2O and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
PubChem CID24785976
Molecular FormulaC26H27F3N2O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C26H27F3N2O/c1-19-13-21(7-10-31-19)22-14-20(15-24(16-22)26(27,28)29)17-32-18-25(8-11-30-12-9-25)23-5-3-2-4-6-23/h2-7,10,13-16,30H,8-9,11-12,17-18H2,1H3
InChIKeyQEGWNYUDHAQFMX-UHFFFAOYSA-N
XLogP5.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (CID 24785976) is 2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is Cc1cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is QEGWNYUDHAQFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O/c1-19-13-21(7-10-31-19)22-14-20(15-24(16-22)26(27,28)29)17-32-18-25(8-11-30-12-9-25)23-5-3-2-4-6-23/h2-7,10,13-16,30H,8-9,11-12,17-18H2,1H3.
What are the key properties of 2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 440.51 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 24785976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).