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

C26H27F3N2O — CID 71272827

IUPAC5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)nc1
InChIInChI=1S/C26H27F3N2O/c1-19-7-8-24(31-16-19)21-13-20(14-23(15-21)26(27,28)29)17-32-18-25(9-11-30-12-10-25)22-5-3-2-4-6-22/h2-8,13-16,30H,9-12,17-18H2,1H3
InChIKeyAQFHLGDJWZSTMG-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.91
Rot. Bonds6

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

5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 71272827) has the molecular formula C26H27F3N2O and a molecular weight of 440.51 g/mol. Its IUPAC name is 5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
PubChem CID71272827
Molecular FormulaC26H27F3N2O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)nc1
InChIInChI=1S/C26H27F3N2O/c1-19-7-8-24(31-16-19)21-13-20(14-23(15-21)26(27,28)29)17-32-18-25(9-11-30-12-10-25)22-5-3-2-4-6-22/h2-8,13-16,30H,9-12,17-18H2,1H3
InChIKeyAQFHLGDJWZSTMG-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 5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (CID 71272827) is 5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is Cc1ccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)nc1.
What is the InChIKey of 5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is AQFHLGDJWZSTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O/c1-19-7-8-24(31-16-19)21-13-20(14-23(15-21)26(27,28)29)17-32-18-25(9-11-30-12-10-25)22-5-3-2-4-6-22/h2-8,13-16,30H,9-12,17-18H2,1H3.
What are the key properties of 5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
5-methyl-2-[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 5-methyl-2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 71272827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).