2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine

C23H27F3N2O — CID 25176461

IUPAC2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2ccccc2)CC1
InChIInChI=1S/C23H27F3N2O/c1-28-11-9-22(10-12-28,18-5-3-2-4-6-18)16-29-15-20-13-19(23(24,25)26)14-21(27-20)17-7-8-17/h2-6,13-14,17H,7-12,15-16H2,1H3
InChIKeyFHFZPUAWDJVXHA-UHFFFAOYSA-N
MW404.48 g/mol
LogP5.16
Rot. Bonds6

About 2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine

2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 25176461) has the molecular formula C23H27F3N2O and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID25176461
Molecular FormulaC23H27F3N2O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2ccccc2)CC1
InChIInChI=1S/C23H27F3N2O/c1-28-11-9-22(10-12-28,18-5-3-2-4-6-18)16-29-15-20-13-19(23(24,25)26)14-21(27-20)17-7-8-17/h2-6,13-14,17H,7-12,15-16H2,1H3
InChIKeyFHFZPUAWDJVXHA-UHFFFAOYSA-N
XLogP5.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine (CID 25176461) is 2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine is CN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2ccccc2)CC1.
What is the InChIKey of 2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is FHFZPUAWDJVXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O/c1-28-11-9-22(10-12-28,18-5-3-2-4-6-18)16-29-15-20-13-19(23(24,25)26)14-21(27-20)17-7-8-17/h2-6,13-14,17H,7-12,15-16H2,1H3.
What are the key properties of 2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 404.48 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 25176461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).