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

C24H23F3N2O — CID 56669059

IUPAC3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1ccc(C(c2cccnc2)N2CCC(Oc3ccccc3)CC2)cc1
InChIInChI=1S/C24H23F3N2O/c25-24(26,27)20-10-8-18(9-11-20)23(19-5-4-14-28-17-19)29-15-12-22(13-16-29)30-21-6-2-1-3-7-21/h1-11,14,17,22-23H,12-13,15-16H2
InChIKeyTVUHMDAIYAYUDC-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.73
Rot. Bonds5

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

3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 56669059) has the molecular formula C24H23F3N2O and a molecular weight of 412.46 g/mol. Its IUPAC name is 3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID56669059
Molecular FormulaC24H23F3N2O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1ccc(C(c2cccnc2)N2CCC(Oc3ccccc3)CC2)cc1
InChIInChI=1S/C24H23F3N2O/c25-24(26,27)20-10-8-18(9-11-20)23(19-5-4-14-28-17-19)29-15-12-22(13-16-29)30-21-6-2-1-3-7-21/h1-11,14,17,22-23H,12-13,15-16H2
InChIKeyTVUHMDAIYAYUDC-UHFFFAOYSA-N
XLogP5.73
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine (CID 56669059) is 3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine is FC(F)(F)c1ccc(C(c2cccnc2)N2CCC(Oc3ccccc3)CC2)cc1.
What is the InChIKey of 3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is TVUHMDAIYAYUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O/c25-24(26,27)20-10-8-18(9-11-20)23(19-5-4-14-28-17-19)29-15-12-22(13-16-29)30-21-6-2-1-3-7-21/h1-11,14,17,22-23H,12-13,15-16H2.
What are the key properties of 3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine?
3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 412.46 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 56669059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).