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

C26H26ClF3N2O2 — CID 24782154

IUPAC2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cnc(Cl)cc1-c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H26ClF3N2O2/c1-33-23-15-32-24(27)14-22(23)19-11-18(12-21(13-19)26(28,29)30)16-34-17-25(7-9-31-10-8-25)20-5-3-2-4-6-20/h2-6,11-15,31H,7-10,16-17H2,1H3
InChIKeyFMEZWIMWEYGQRY-UHFFFAOYSA-N
MW490.95 g/mol
LogP6.27
Rot. Bonds7

About 2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 24782154) has the molecular formula C26H26ClF3N2O2 and a molecular weight of 490.95 g/mol. Its IUPAC name is 2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
PubChem CID24782154
Molecular FormulaC26H26ClF3N2O2
Molecular Weight490.95 g/mol
Exact Mass490.16
IUPAC Name2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cnc(Cl)cc1-c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H26ClF3N2O2/c1-33-23-15-32-24(27)14-22(23)19-11-18(12-21(13-19)26(28,29)30)16-34-17-25(7-9-31-10-8-25)20-5-3-2-4-6-20/h2-6,11-15,31H,7-10,16-17H2,1H3
InChIKeyFMEZWIMWEYGQRY-UHFFFAOYSA-N
XLogP6.27
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.95
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (CID 24782154) is 2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is COc1cnc(Cl)cc1-c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is FMEZWIMWEYGQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N2O2/c1-33-23-15-32-24(27)14-22(23)19-11-18(12-21(13-19)26(28,29)30)16-34-17-25(7-9-31-10-8-25)20-5-3-2-4-6-20/h2-6,11-15,31H,7-10,16-17H2,1H3.
What are the key properties of 2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 490.95 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 24782154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).