Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester
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Basic information
- CAS
20954-14-7- Standard SMILES
CCCCOC(=O)c1ccc(-n2nc(OCCN3CCCCC3)c3ccccc32)cc1- InChIKey
WNFPNMLOMZOGLE-UHFFFAOYSA-N- Molecular formula
- C25H31N3O3
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.23654186
Names & identifiers
- Preferred name
- Benzoic acid, p-(3-(2-piperidinoethoxy)-1H-indazol-1-yl)-, butyl ester
- IUPAC
- butyl 4-[3-(2-piperidin-1-ylethoxy)indazol-1-yl]benzoate
- English name
- p-[3-(2-Piperidinoethoxy)-1H-indazol-1-yl]benzoic acid butyl ester
- Molecular formula
- C25H31N3O3
- Molecular weight
- 421.53
Names & synonyms
20954-14-7ITF 632BRN 0857293BENZOIC ACID, p-(3-(2-PIPERIDINOETHOXY)-1H-INDAZOL-1-YL)-, BUTYL ESTERDTXSID90175135p-(3-(2-Piperidinoethoxy)-1H-indazol-1-yl)benzoic acid butyl esterp-[3-(2-piperidinoethoxy)-1h-indazol-1-yl]benzoic acid butyl esterRefChem:327826DTXCID9097626butyl 4-{3-[2-(piperidin-1-yl)ethoxy]-1H-indazol-1-yl}benzoateITF-632Benzoic acid, 4-[3-[2-(1-piperidinyl)ethoxy]-1H-indazol-1-yl]-, butyl ester
Database identifiers
- CAS
20954-14-7- PubChem CID
- 30393
- DTXSID
DTXSID90175135- Nikkaji
- J83.497A
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
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Compound notes
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