Methyl 3-(4-Piperidyl)benzoate Hydrochloride - CAS 726185-54-2
Catalog: |
BB034662 |
Product Name: |
Methyl 3-(4-Piperidyl)benzoate Hydrochloride |
CAS: |
726185-54-2 |
Synonyms: |
3-(4-piperidinyl)benzoic acid methyl ester;hydrochloride; methyl 3-piperidin-4-ylbenzoate;hydrochloride |
IUPAC Name: | methyl 3-piperidin-4-ylbenzoate;hydrochloride |
Description: | Methyl 3-(4-Piperidyl)benzoate Hydrochloride (CAS# 726185-54-2) is a useful research chemical. |
Molecular Weight: | 255.74 |
Molecular Formula: | C13H18ClNO2 |
Canonical SMILES: | COC(=O)C1=CC(=CC=C1)C2CCNCC2.Cl |
InChI: | InChI=1S/C13H17NO2.ClH/c1-16-13(15)12-4-2-3-11(9-12)10-5-7-14-8-6-10;/h2-4,9-10,14H,5-8H2,1H3;1H |
InChI Key: | CTBDUSKBEWVQOC-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 3.07100 |
Publication Number | Title | Priority Date |
CA-2810696-A1 | Pyrazoloquinoline compound | 20100907 |
CA-2810696-C | Pyrazoloquinoline compound | 20100907 |
DK-2615089-T3 | Pyrazoloquinolinforbindelser | 20100907 |
EP-2615089-A1 | Pyrazoloquinoline compound | 20100907 |
EP-2615089-B1 | Pyrazoloquinoline compounds | 20100907 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.1026065 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.1026065 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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