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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Related Compounds

7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole
CID 25159922
8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline
CID 25167726
4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine
CID 57247335
2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide
CID 23204459
2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol
CID 91218245
4-[4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-methyl-4-phenylcyclohexyl]-1H-1,2,4-triazol-5-one
CID 90221589
8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 58633759
(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane
CID 11654898
2-[4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-methyl-4-phenylcyclohexyl]propan-2-ol
CID 58238890
4-methyl-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24782653
methane;1-[(1R)-1-[[(1S)-1-phenylcyclohex-3-en-1-yl]methoxy]ethyl]-3,5-bis(trifluoromethyl)benzene
CID 157114936
3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline
CID 143563799

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).