4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

C26H27F3N2O — CID 24785718

IUPAC4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESCN1CCC(COCc2cc(-c3ccncc3)cc(C(F)(F)F)c2)(c2ccccc2)CC1
InChIInChI=1S/C26H27F3N2O/c1-31-13-9-25(10-14-31,23-5-3-2-4-6-23)19-32-18-20-15-22(21-7-11-30-12-8-21)17-24(16-20)26(27,28)29/h2-8,11-12,15-17H,9-10,13-14,18-19H2,1H3
InChIKeyKZVFCWCKYJZYKP-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.95
Rot. Bonds6

About 4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 24785718) has the molecular formula C26H27F3N2O and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
PubChem CID24785718
Molecular FormulaC26H27F3N2O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESCN1CCC(COCc2cc(-c3ccncc3)cc(C(F)(F)F)c2)(c2ccccc2)CC1
InChIInChI=1S/C26H27F3N2O/c1-31-13-9-25(10-14-31,23-5-3-2-4-6-23)19-32-18-20-15-22(21-7-11-30-12-8-21)17-24(16-20)26(27,28)29/h2-8,11-12,15-17H,9-10,13-14,18-19H2,1H3
InChIKeyKZVFCWCKYJZYKP-UHFFFAOYSA-N
XLogP5.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (CID 24785718) is 4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is CN1CCC(COCc2cc(-c3ccncc3)cc(C(F)(F)F)c2)(c2ccccc2)CC1.
What is the InChIKey of 4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is KZVFCWCKYJZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O/c1-31-13-9-25(10-14-31,23-5-3-2-4-6-23)19-32-18-20-15-22(21-7-11-30-12-8-21)17-24(16-20)26(27,28)29/h2-8,11-12,15-17H,9-10,13-14,18-19H2,1H3.
What are the key properties of 4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 440.51 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 24785718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).