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

C23H28F3N3O — CID 24800578

IUPAC2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(N2CCCC2)c1
InChIInChI=1S/C23H28F3N3O/c24-23(25,26)19-14-20(28-21(15-19)29-12-4-5-13-29)16-30-17-22(8-10-27-11-9-22)18-6-2-1-3-7-18/h1-3,6-7,14-15,27H,4-5,8-13,16-17H2
InChIKeyCFFZZZKWGRQTNZ-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.54
Rot. Bonds6

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

2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine (PubChem CID 24800578) has the molecular formula C23H28F3N3O and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine
PubChem CID24800578
Molecular FormulaC23H28F3N3O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC Name2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(N2CCCC2)c1
InChIInChI=1S/C23H28F3N3O/c24-23(25,26)19-14-20(28-21(15-19)29-12-4-5-13-29)16-30-17-22(8-10-27-11-9-22)18-6-2-1-3-7-18/h1-3,6-7,14-15,27H,4-5,8-13,16-17H2
InChIKeyCFFZZZKWGRQTNZ-UHFFFAOYSA-N
XLogP4.54
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine (CID 24800578) is 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(N2CCCC2)c1.
What is the InChIKey of 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine?
The InChIKey is CFFZZZKWGRQTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O/c24-23(25,26)19-14-20(28-21(15-19)29-12-4-5-13-29)16-30-17-22(8-10-27-11-9-22)18-6-2-1-3-7-18/h1-3,6-7,14-15,27H,4-5,8-13,16-17H2.
What are the key properties of 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine?
2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine has a molecular weight of 419.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24800578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).