7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole

C22H24F3N3O — CID 25159918

IUPAC7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole
SMILESCC(OCC1(c2ccccc2)CCNCC1)c1cc(C(F)(F)F)cc2cn[nH]c12
InChIInChI=1S/C22H24F3N3O/c1-15(19-12-18(22(23,24)25)11-16-13-27-28-20(16)19)29-14-21(7-9-26-10-8-21)17-5-3-2-4-6-17/h2-6,11-13,15,26H,7-10,14H2,1H3,(H,27,28)
InChIKeyBBYLOZBRJRUWCB-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.98
Rot. Bonds5

About 7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole

7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole (PubChem CID 25159918) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is 7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole
PubChem CID25159918
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole
SMILESCC(OCC1(c2ccccc2)CCNCC1)c1cc(C(F)(F)F)cc2cn[nH]c12
InChIInChI=1S/C22H24F3N3O/c1-15(19-12-18(22(23,24)25)11-16-13-27-28-20(16)19)29-14-21(7-9-26-10-8-21)17-5-3-2-4-6-17/h2-6,11-13,15,26H,7-10,14H2,1H3,(H,27,28)
InChIKeyBBYLOZBRJRUWCB-UHFFFAOYSA-N
XLogP4.98
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole?
The IUPAC name of 7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole (CID 25159918) is 7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole is CC(OCC1(c2ccccc2)CCNCC1)c1cc(C(F)(F)F)cc2cn[nH]c12.
What is the InChIKey of 7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole?
The InChIKey is BBYLOZBRJRUWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-15(19-12-18(22(23,24)25)11-16-13-27-28-20(16)19)29-14-21(7-9-26-10-8-21)17-5-3-2-4-6-17/h2-6,11-13,15,26H,7-10,14H2,1H3,(H,27,28).
What are the key properties of 7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole?
7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole has a molecular weight of 403.45 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 25159918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).