Basic information
- CAS
77278-93-4- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2ccccn2)CC1- InChIKey
YKGYLSBMOUSMDS-UHFFFAOYSA-N- Molecular formula
- C15H23N3O2
- Average molar mass
- 277.36 g/mol
- Monoisotopic mass
- 277.17902698
Names & identifiers
- Preferred name
- Tert-butyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
- English name
- 1-(tert-Butoxycarbonyl)-4-((2-pyridyl)methyl)piperazine
- Molecular formula
- C15H23N3O2
- Molecular weight
- 277.36
Names & synonyms
77278-93-4Tert-butyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylatetert-butyl 4-((Pyridin-2-yl)methyl)piperazine-1-carboxylate1-Piperazinecarboxylic acid, 4-(2-pyridinylmethyl)-, 1,1-dimethylethylestertert-Butyl 4-[(pyridin-2-yl)methyl]piperazine-1-carboxylate1-(TERT-BUTOXYCARBONYL)-4-((2-PYRIDYL)METHYL)PIPERAZINESCHEMBL2137893DTXSID30998522YKGYLSBMOUSMDS-UHFFFAOYSA-NAKOS010952434DB-075270Tert-butyl 4-(pyridine-2-ylmethyl)piperazine-1-carboxylate
Show more names
TERT-BUTYL-4-((PYRIDIN-2-YL)METHYL)PIPERAZINE-1-CARBOXYLATE1-Piperazinecarboxylicacid, 4-(2-pyridinylmethyl)-, 1,1-dimethylethyl ester
4-Pyridin-2-ylmethyl-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- CAS
77278-93-4- PubChem CID
- 10062065
- DTXSID
DTXSID30998522
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 369 · 369.0±37.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- 5.72 · 5.72±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
Related reactions
5 records
Compound notes
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