tert-Butyl 4-(1H-indol-4-yl)piperazine-1-carboxylate
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Basic information
- CAS
252978-89-5- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cccc3[nH]ccc23)CC1- InChIKey
OEAMZRWFIQSVJQ-UHFFFAOYSA-N- Molecular formula
- C17H23N3O2
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.17902698
Names & identifiers
- Preferred name
- tert-Butyl 4-(1H-indol-4-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(1H-indol-4-yl)piperazine-1-carboxylate
- English name
- 4-(1H-Indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C17H23N3O2
- Molecular weight
- 301.38
Names & synonyms
252978-89-5tert-butyl 4-(1H-indol-4-yl)piperazine-1-carboxylateDTXSID80621515RefChem:383455DTXCID70572269OEAMZRWFIQSVJQ-UHFFFAOYSA-NMFCD049733014-(1H-indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester4(1H-Indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester4-(1H-Indol-4-yl)piperazine-1-carboxylic acid tert-butyl ester1-Piperazinecarboxylicacid, 4-(1H-indol-4-yl)-, 1,1-dimethylethyl ester1-Boc-4-(1H-indol-4-yl)piperazine
Show more names
benzyl 4-(1H-indol-4-yl)piperazine-1-carboxylate1-(1-tert-Butoxycarbonyl)-4-(4-indolyl)piperazine4-(1H-indol-4-yl)-1-piperazinecarboxylic acid tert-butyl ester4-(1H-INDOLE-4-YL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER4-(1H-indol-4-yl)-1-piperazine-1-carboxylic acid tert-butyl ester
4-(4-boc-piperazinyl)-indoleSCHEMBL1537795SCHEMBL30885791CAY104924-(4-Boc-1-piperazinyl)-1H-indoleAKOS005256816AS-49882SY240205
Database identifiers
- CAS
252978-89-5- PubChem CID
- 22015386
- DTXSID
DTXSID80621515- Nikkaji
- J2.668.320C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 139 ℃ · 139℃
- Boiling point
- 475.3 · 475.3±35.0 °C(Predicted)
- Density
- 1.194 · 1.194
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2)(1:1): 0.5 mg/ml; Ethanol: 10 mg/ml
- form
- A crystalline solid
- pka
- 18.78 · 18.78±0.30(Predicted)
- Comptox DTXSID
- 80621515 · DTXSID80621515
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933990099 · 2933990099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933990099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionCAY10492 is a synthetic intermediate useful for pharmaceutical synthesis..
Usestert-Butyl 4-(1H-indol-4-yl)piperazine-1-carboxylate is a synthetic intermediate useful for pharmaceutical synthesis..
Related reactions
30 records
Compound notes
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