Cas no 831169-56-3 (Butanoic acid, 4-piperidinylmethyl ester)
831169-56-3 structure
Product Name:Butanoic acid, 4-piperidinylmethyl ester
CAS No:831169-56-3
MF:C10H19NO2
MW:185.26336312294
CID:678312
PubChem ID:71416392
Update Time:2025-04-19
Butanoic acid, 4-piperidinylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-piperidinylmethyl ester
- piperidin-4-ylmethyl butanoate
- DTXSID70835785
- (Piperidin-4-yl)methyl butanoate
- 831169-56-3
-
- Inchi： 1S/C10H19NO2/c1-2-3-10(12)13-8-9-4-6-11-7-5-9/h9,11H,2-8H2,1H3
- InChI Key： SIFZKUWPCAUHMU-UHFFFAOYSA-N
- SMILES： O(C(CCC)=O)CC1CCNCC1
Computed Properties
- Exact Mass: 185.141578849g/mol
- Monoisotopic Mass: 185.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 153
- 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: 1.3
- Topological Polar Surface Area: 38.3?2
Butanoic acid, 4-piperidinylmethyl ester Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
831169-56-3 (Butanoic acid, 4-piperidinylmethyl ester) Related Products
- 25137-01-3(ethyl (3R)-piperidine-3-carboxylate)
- 64995-88-6(Ethyl 2-(piperidin-3-yl)acetate)
- 37675-18-6(Ethyl (3S)-piperidine-3-carboxylate)
- 103039-88-9(Ethyl 4-methylpiperidine-4-carboxylate)
- 168986-49-0(methyl 2-(4-piperidyl)acetate)
- 59184-90-6(Ethyl 2-(piperidin-4-yl)acetate)
- 1126-09-6(Ethyl piperidine-4-carboxylate)
- 24252-37-7(Ethyl 1-methylpiperidine-4-carboxylate)
- 2971-79-1(Methyl piperidine-4-carboxylate)
- 5006-62-2(Ethyl piperidine-3-carboxylate)
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