Cas no 111333-92-7 (4-Piperidinecarboxylic acid, 1-(1-oxohexadecyl)-)
111333-92-7 structure
Product Name:4-Piperidinecarboxylic acid, 1-(1-oxohexadecyl)-
CAS No:111333-92-7
MF:C22H41NO3
MW:367.565847158432
CID:1197440
PubChem ID:18419959
Update Time:2025-04-20
4-Piperidinecarboxylic acid, 1-(1-oxohexadecyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Piperidinecarboxylic acid, 1-(1-oxohexadecyl)-
- 1-hexadecanoylpiperidine-4-carboxylic acid
- DTXSID60593600
- DB-097417
- SCHEMBL5606242
- 1-Hexadecanoylpiperidine-4-carboxylato(2-)
- 111333-92-7
-
- Inchi： 1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)23-18-16-20(17-19-23)22(25)26/h20H,2-19H2,1H3,(H,25,26)
- InChI Key： YHNUIFKHRMMOOT-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCCCC)N1CCC(C(=O)O)CC1
Computed Properties
- Exact Mass: 518.3392
- Monoisotopic Mass: 367.30864417g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 15
- Complexity: 376
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.1
- Topological Polar Surface Area: 57.6?2
Experimental Properties
- PSA: 102.01
4-Piperidinecarboxylic acid, 1-(1-oxohexadecyl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
111333-92-7 (4-Piperidinecarboxylic acid, 1-(1-oxohexadecyl)-) Related Products
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- 25503-90-6(1-Acetylpiperidine-4-carboxylic acid)
- 84163-42-8(1-Formylpiperidine-4-carboxylic Acid)
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- 923177-08-6(1-(2,2-DIMETHYLPROPANOYL)PIPERIDINE-3-CARBOXYLIC ACID)
- 78056-60-7(1-Acetyl-4-piperidineacetic acid)
- 330985-26-7(1-Isobutyryl-4-piperidinecarboxylic Acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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