Basic information
- CAS
162045-29-6- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Nc2ccccc2CO)CC1- InChIKey
JYEZFXKKAYQZOC-UHFFFAOYSA-N- Molecular formula
- C17H26N2O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1943427
Names & identifiers
- Preferred name
- 1-Boc-4-(2-hydroxymethyl-phenylamino)-piperidine
- IUPAC
- tert-butyl 4-[2-(hydroxymethyl)anilino]piperidine-1-carboxylate
- English name
- 1-Boc-4-(2-hydroxymethyl-phenylamino)-piperidine
- Molecular formula
- C17H26N2O3
- Molecular weight
- 306.4
Names & synonyms
162045-29-61-BOC-4-(2-HYDROXYMETHYL-PHENYLAMINO)-PIPERIDINEtert-butyl 4-[2-(hydroxymethyl)anilino]piperidine-1-carboxylatetert-Butyl 4-((2-(hydroxymethyl)phenyl)amino)piperidine-1-carboxylate1-boc-4-[[2-(hydroxymethyl)phenyl]amino]-piperidine4-(2-hydroxymethyl-phenylamino)-piperidine-1-carboxylic acid tert-butyl esterMFCD09753800SCHEMBL6249997DTXSID10444855JYEZFXKKAYQZOC-UHFFFAOYSA-NAKOS015918310AB91590
Show more names
tert-butyl-4-(2-(hydroxymethyl)phenylamino)piperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-[[2-(hydroxymethyl)phenyl]amino]-, 1,1-dimethylethyl ester
AS-30398DB-064431CS-01997421-(tert-Butoxycarbonyl)-4-[(2-hydroxymethylphenyl)amino]piperidinetert-Butyl4-((2-(hydroxymethyl)phenyl)amino)piperidine-1-carboxylate
Database identifiers
- CAS
162045-29-6- PubChem CID
- 10780997
- DTXSID
DTXSID10444855
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 466.4 · 466.4±45.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.24 · 14.24±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses1-Boc-4-(2-hydroxymethylphenylamino)piperidine is used as a reactant in the synthesis of novel and selective serotonin 5-HT6 receptor ligands.
Suppliers12 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海相辉医药科技有限公司[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
Loading…