3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine

C24H22F4N2O — CID 56675992

IUPAC3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFc1ccccc1OC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1
InChIInChI=1S/C24H22F4N2O/c25-21-5-1-2-6-22(21)31-20-11-14-30(15-12-20)23(18-4-3-13-29-16-18)17-7-9-19(10-8-17)24(26,27)28/h1-10,13,16,20,23H,11-12,14-15H2
InChIKeyXBVPAFMFTNIRSV-UHFFFAOYSA-N
MW430.45 g/mol
LogP5.87
Rot. Bonds5

About 3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine

3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 56675992) has the molecular formula C24H22F4N2O and a molecular weight of 430.45 g/mol. Its IUPAC name is 3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID56675992
Molecular FormulaC24H22F4N2O
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC Name3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFc1ccccc1OC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1
InChIInChI=1S/C24H22F4N2O/c25-21-5-1-2-6-22(21)31-20-11-14-30(15-12-20)23(18-4-3-13-29-16-18)17-7-9-19(10-8-17)24(26,27)28/h1-10,13,16,20,23H,11-12,14-15H2
InChIKeyXBVPAFMFTNIRSV-UHFFFAOYSA-N
XLogP5.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine (CID 56675992) is 3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine is Fc1ccccc1OC1CCN(C(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1.
What is the InChIKey of 3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is XBVPAFMFTNIRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O/c25-21-5-1-2-6-22(21)31-20-11-14-30(15-12-20)23(18-4-3-13-29-16-18)17-7-9-19(10-8-17)24(26,27)28/h1-10,13,16,20,23H,11-12,14-15H2.
What are the key properties of 3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine?
3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 430.45 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 56675992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).