Basic information
- CAS
947498-92-2- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2c[nH]c3ncccc23)CC1- InChIKey
YUZQJSKCFVLQGD-UHFFFAOYSA-N- Molecular formula
- C16H22N4O2
- Average molar mass
- 302.37 g/mol
- Monoisotopic mass
- 302.17427594
Names & identifiers
- Preferred name
- Tert-butyl 4-(1H-pyrrolo[2,3-B]pyridin-3-YL)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperazine-1-carboxylate
- English name
- Tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
- Molecular formula
- C16H22N4O2
- Molecular weight
- 302.37
Names & synonyms
TERT-BUTYL 4-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)PIPERAZINE-1-CARBOXYLATESCHEMBL3342258DTXSID30677986YUZQJSKCFVLQGD-UHFFFAOYSA-NMFCD11045255DB-405259t-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylateTert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate1,1-Dimethylethyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1-piperazinecarboxylate1-Piperazinecarboxylic acid, 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
947498-92-2- PubChem CID
- 49758941
- DTXSID
DTXSID30677986
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- pka
- 15.02 · 15.02±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers14 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
绵阳凯新医药科技有限公司816-816-2551723 18681628050 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
2 records
Compound notes
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