3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

C25H24ClF3N2O — CID 24785713

IUPAC3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccncc2Cl)c1
InChIInChI=1S/C25H24ClF3N2O/c26-23-15-31-9-6-22(23)19-12-18(13-21(14-19)25(27,28)29)16-32-17-24(7-10-30-11-8-24)20-4-2-1-3-5-20/h1-6,9,12-15,30H,7-8,10-11,16-17H2
InChIKeyRXTBZSQUPXJEOZ-UHFFFAOYSA-N
MW460.93 g/mol
LogP6.26
Rot. Bonds6

About 3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 24785713) has the molecular formula C25H24ClF3N2O and a molecular weight of 460.93 g/mol. Its IUPAC name is 3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
PubChem CID24785713
Molecular FormulaC25H24ClF3N2O
Molecular Weight460.93 g/mol
Exact Mass460.15
IUPAC Name3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccncc2Cl)c1
InChIInChI=1S/C25H24ClF3N2O/c26-23-15-31-9-6-22(23)19-12-18(13-21(14-19)25(27,28)29)16-32-17-24(7-10-30-11-8-24)20-4-2-1-3-5-20/h1-6,9,12-15,30H,7-8,10-11,16-17H2
InChIKeyRXTBZSQUPXJEOZ-UHFFFAOYSA-N
XLogP6.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.93
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (CID 24785713) is 3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccncc2Cl)c1.
What is the InChIKey of 3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is RXTBZSQUPXJEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N2O/c26-23-15-31-9-6-22(23)19-12-18(13-21(14-19)25(27,28)29)16-32-17-24(7-10-30-11-8-24)20-4-2-1-3-5-20/h1-6,9,12-15,30H,7-8,10-11,16-17H2.
What are the key properties of 3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 460.93 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 24785713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).