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

C25H25F3N2O — CID 58993510

IUPAC2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccccn2)c1
InChIInChI=1S/C25H25F3N2O/c26-25(27,28)22-15-19(14-20(16-22)23-8-4-5-11-30-23)17-31-18-24(9-12-29-13-10-24)21-6-2-1-3-7-21/h1-8,11,14-16,29H,9-10,12-13,17-18H2
InChIKeyMKLPQTSLHXOEGQ-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.61
Rot. Bonds6

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

2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 58993510) has the molecular formula C25H25F3N2O and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
PubChem CID58993510
Molecular FormulaC25H25F3N2O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccccn2)c1
InChIInChI=1S/C25H25F3N2O/c26-25(27,28)22-15-19(14-20(16-22)23-8-4-5-11-30-23)17-31-18-24(9-12-29-13-10-24)21-6-2-1-3-7-21/h1-8,11,14-16,29H,9-10,12-13,17-18H2
InChIKeyMKLPQTSLHXOEGQ-UHFFFAOYSA-N
XLogP5.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (CID 58993510) is 2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccccn2)c1.
What is the InChIKey of 2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is MKLPQTSLHXOEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O/c26-25(27,28)22-15-19(14-20(16-22)23-8-4-5-11-30-23)17-31-18-24(9-12-29-13-10-24)21-6-2-1-3-7-21/h1-8,11,14-16,29H,9-10,12-13,17-18H2.
What are the key properties of 2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 426.48 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 58993510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).