1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid

C22H23F4N3O3 — CID 154887716

IUPAC1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid
SMILESFc1ccccc1OC1CCN(CCn2ncc3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22FN3O.C2HF3O2/c21-18-6-2-4-8-20(18)25-17-9-11-23(12-10-17)13-14-24-19-7-3-1-5-16(19)15-22-24;3-2(4,5)1(6)7/h1-8,15,17H,9-14H2;(H,6,7)
InChIKeyRHIOFEGKHXVJLQ-UHFFFAOYSA-N
MW453.44 g/mol
LogP4.35
Rot. Bonds5

About 1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid

1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid (PubChem CID 154887716) has the molecular formula C22H23F4N3O3 and a molecular weight of 453.44 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid
PubChem CID154887716
Molecular FormulaC22H23F4N3O3
Molecular Weight453.44 g/mol
Exact Mass453.17
IUPAC Name1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid
SMILESFc1ccccc1OC1CCN(CCn2ncc3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22FN3O.C2HF3O2/c21-18-6-2-4-8-20(18)25-17-9-11-23(12-10-17)13-14-24-19-7-3-1-5-16(19)15-22-24;3-2(4,5)1(6)7/h1-8,15,17H,9-14H2;(H,6,7)
InChIKeyRHIOFEGKHXVJLQ-UHFFFAOYSA-N
XLogP4.35
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]indazole;bis(2,2,2-trifluoroacetic acid)
CID 154890199
1-[2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]indazole
CID 28853306
2-indazol-1-yl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 171321329
4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981140
3-indazol-1-ylpropanoic acid
CID 805922
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
6-indazol-1-yl-2,2-dimethylhexanoic acid
CID 106714165
2-[4-[2-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524476
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride
CID 22150162
4-(4-naphthalen-1-yloxypiperidin-1-yl)butanamide
CID 68516066
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
CID 138808176
1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 129453393

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid (CID 154887716) is 1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid is Fc1ccccc1OC1CCN(CCn2ncc3ccccc32)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid?
The InChIKey is RHIOFEGKHXVJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O.C2HF3O2/c21-18-6-2-4-8-20(18)25-17-9-11-23(12-10-17)13-14-24-19-7-3-1-5-16(19)15-22-24;3-2(4,5)1(6)7/h1-8,15,17H,9-14H2;(H,6,7).
What are the key properties of 1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid?
1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid has a molecular weight of 453.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).