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

C24H22F4N2O — CID 56662136

IUPAC3-[[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFc1ccc(OC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)cc1
InChIInChI=1S/C24H22F4N2O/c25-20-7-9-21(10-8-20)31-22-11-14-30(15-12-22)23(18-2-1-13-29-16-18)17-3-5-19(6-4-17)24(26,27)28/h1-10,13,16,22-23H,11-12,14-15H2
InChIKeyNMBPRMJYIWRPLF-UHFFFAOYSA-N
MW430.45 g/mol
LogP5.87
Rot. Bonds5

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

3-[[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 56662136) has the molecular formula C24H22F4N2O and a molecular weight of 430.45 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID56662136
Molecular FormulaC24H22F4N2O
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC Name3-[[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFc1ccc(OC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)cc1
InChIInChI=1S/C24H22F4N2O/c25-20-7-9-21(10-8-20)31-22-11-14-30(15-12-22)23(18-2-1-13-29-16-18)17-3-5-19(6-4-17)24(26,27)28/h1-10,13,16,22-23H,11-12,14-15H2
InChIKeyNMBPRMJYIWRPLF-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-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 3-[[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine (CID 56662136) is 3-[[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 3-[[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 3-[[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine is Fc1ccc(OC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)cc1.
What is the InChIKey of 3-[[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is NMBPRMJYIWRPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O/c25-20-7-9-21(10-8-20)31-22-11-14-30(15-12-22)23(18-2-1-13-29-16-18)17-3-5-19(6-4-17)24(26,27)28/h1-10,13,16,22-23H,11-12,14-15H2.
What are the key properties of 3-[[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine?
3-[[4-(4-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-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 56662136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).