Cas no 1219-16-5 (Piperidine,1-[(3-phenyl-5-isoxazolyl)methyl]-, hydrochloride (1:1))
![Piperidine,1-[(3-phenyl-5-isoxazolyl)methyl]-, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/1500/1219-16-5x500.png)
1219-16-5 structure
Product Name:Piperidine,1-[(3-phenyl-5-isoxazolyl)methyl]-, hydrochloride (1:1)
CAS No:1219-16-5
MF:C15H19ClN2O
MW:278.777162790298
CID:146674
PubChem ID:14635
Update Time:2025-04-19
Piperidine,1-[(3-phenyl-5-isoxazolyl)methyl]-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Piperidine,1-[(3-phenyl-5-isoxazolyl)methyl]-, hydrochloride (1:1)
- 3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole,chloride
- 1219-16-5
- ISOXAZOLE, 3-PHENYL-5-(PIPERIDINOMETHYL)-, HYDROCHLORIDE
- 3-Phenyl-5-(piperidinomethyl)isoxazole hydrochloride
-
- Inchi： 1S/C15H18N2O.ClH/c1-3-7-13(8-4-1)15-11-14(18-16-15)12-17-9-5-2-6-10-17;/h1,3-4,7-8,11H,2,5-6,9-10,12H2;1H
- InChI Key： QLCZHLCZGFVWRO-UHFFFAOYSA-N
- SMILES： [Cl-].O1C(=CC(C2C=CC=CC=2)=N1)C[NH+]1CCCCC1
Computed Properties
- Exact Mass: 258.97
- Monoisotopic Mass: 278.1185909g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 247
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 30.5?2
Experimental Properties
- PSA: 31.93
Piperidine,1-[(3-phenyl-5-isoxazolyl)methyl]-, hydrochloride (1:1) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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