Basic information
- CAS
88466-76-6- Standard SMILES
COC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1- InChIKey
LYYJQMCPEHXOEW-VIFPVBQESA-N- Molecular formula
- C12H21NO4
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.14705815
Names & identifiers
- Preferred name
- 1-tert-butyl 3-methyl (3S)-piperidine-1,3-dicarboxylate
- IUPAC
- 1-O-tert-butyl 3-O-methyl (3S)-piperidine-1,3-dicarboxylate
- English name
- (S)-N-Boc-piperidine-3-carboxylate methyl ester
- Molecular formula
- C12H21NO4
- Molecular weight
- 243.3
Names & synonyms
88466-76-6(S)-1-tert-Butyl 3-methyl piperidine-1,3-dicarboxylate(S)-METHYL 1-BOC-PIPERIDINE-3-CARBOXYLATE1-tert-butyl 3-methyl (3S)-piperidine-1,3-dicarboxylateMFCD09955428(S)-N-BOC-PIPERIDINE-3-CARBOXYLATE METHYL ESTER1-(tert-Butyl) 3-methyl (S)-piperidine-1,3-dicarboxylateO1-tert-butyl O3-methyl (3S)-piperidine-1,3-dicarboxylate1-O-tert-butyl 3-O-methyl (3S)-piperidine-1,3-dicarboxylateMethyl N-BOC-(S)-piperidine-3-carboxylateSCHEMBL9882415DTXSID90652017
Show more names
(S)-1-Boc-piperidine-3-carboxylic acid methyl ester1,3-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester,(S)-
AKOS017555975AS-33511SY098472Methyl (S)-1-Boc-piperidine-3-carboxylateCS-0052376F465232(S)-1-tert-Butyl3-methylpiperidine-1,3-dicarboxylate
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 307.4 · 307.4±35.0 °C(Predicted)
- Density
- 1.094 · 1.094±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -2.48 · -2.48±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers20 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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