Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate - CAS 1548163-89-8
Catalog: |
BB059836 |
Product Name: |
Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate |
CAS: |
1548163-89-8 |
Synonyms: |
METHYL 1-[(4-BROMOTHIOPHEN-2-YL)METHYL]PIPERIDINE-3-CARBOXYLATE; Methyl 1-((4-bromothiophen-2-yl)methyl)piperidine-3-carboxylate; Methyl1-((4-bromothiophen-2-yl)methyl)piperidine-3-carboxylate |
IUPAC Name: | methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate |
Description: | Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate |
Molecular Weight: | 318.23 |
Molecular Formula: | C12H16BrNO2S |
Canonical SMILES: | COC(=O)C1CCCN(C1)CC2=CC(=CS2)Br |
InChI: | InChI=1S/C12H16BrNO2S/c1-16-12(15)9-3-2-4-14(6-9)7-11-5-10(13)8-17-11/h5,8-9H,2-4,6-7H2,1H3 |
InChI Key: | GFLBGPGVKUHLJC-UHFFFAOYSA-N |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.00851 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.00851 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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