2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine

C25H30F4N2O — CID 24800398

IUPAC2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(C3CCCC3)n2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H30F4N2O/c1-31-12-10-24(11-13-31,19-6-8-21(26)9-7-19)17-32-16-22-14-20(25(27,28)29)15-23(30-22)18-4-2-3-5-18/h6-9,14-15,18H,2-5,10-13,16-17H2,1H3
InChIKeyNJZXZKUKBCWTCN-UHFFFAOYSA-N
MW450.52 g/mol
LogP6.08
Rot. Bonds6

About 2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine

2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 24800398) has the molecular formula C25H30F4N2O and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID24800398
Molecular FormulaC25H30F4N2O
Molecular Weight450.52 g/mol
Exact Mass450.23
IUPAC Name2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(C3CCCC3)n2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H30F4N2O/c1-31-12-10-24(11-13-31,19-6-8-21(26)9-7-19)17-32-16-22-14-20(25(27,28)29)15-23(30-22)18-4-2-3-5-18/h6-9,14-15,18H,2-5,10-13,16-17H2,1H3
InChIKeyNJZXZKUKBCWTCN-UHFFFAOYSA-N
XLogP6.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.52
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (CID 24800398) is 2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is CN1CCC(COCc2cc(C(F)(F)F)cc(C3CCCC3)n2)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is NJZXZKUKBCWTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F4N2O/c1-31-12-10-24(11-13-31,19-6-8-21(26)9-7-19)17-32-16-22-14-20(25(27,28)29)15-23(30-22)18-4-2-3-5-18/h6-9,14-15,18H,2-5,10-13,16-17H2,1H3.
What are the key properties of 2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 450.52 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24800398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).