Cas no 78219-50-8 (2-Piperidinepropanol,1-propyl-, 2-benzoate, hydrochloride (1:1))
78219-50-8 structure
Product Name:2-Piperidinepropanol,1-propyl-, 2-benzoate, hydrochloride (1:1)
CAS No:78219-50-8
MF:C18H28ClNO2
MW:325.873424530029
CID:568838
PubChem ID:3060672
Update Time:2025-04-19
2-Piperidinepropanol,1-propyl-, 2-benzoate, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2-Piperidinepropanol,1-propyl-, 2-benzoate, hydrochloride (1:1)
- 3-(1-propyl-2-piperidyl)propyl benzoate hydrochloride
- 3-(1-propylpiperidin-2-yl)propyl benzoate,hydrochloride
- DTXSID70999533
- 3-(1-Propylpiperidin-2-yl)propyl benzoate--hydrogen chloride (1/1)
- 2-Piperidinepropanol, 1-propyl-, benzoate, hydrochloride
- Benzoic acid, 3-(1-propyl-2-piperidyl)propyl ester hydrochloride
- 78219-50-8
- gamma-(1-Propyl-2-piperidyl)propyl benzoate hydrochloride
-
- Inchi： 1S/C18H27NO2.ClH/c1-2-13-19-14-7-6-11-17(19)12-8-15-21-18(20)16-9-4-3-5-10-16;/h3-5,9-10,17H,2,6-8,11-15H2,1H3;1H
- InChI Key： KDGSKFLWTMUFFL-UHFFFAOYSA-N
- SMILES： Cl.O(C(C1C=CC=CC=1)=O)CCCC1CCCCN1CCC
Computed Properties
- Exact Mass: 325.1808568g/mol
- Monoisotopic Mass: 325.1808568g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 300
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.5?2
2-Piperidinepropanol,1-propyl-, 2-benzoate, hydrochloride (1:1) Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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