Cas no 14487-99-1 (3-acetyl-1-benzyl-piperidin-4-one)
14487-99-1 structure
Product Name:3-acetyl-1-benzyl-piperidin-4-one
CAS No:14487-99-1
MF:C14H17NO2
MW:231.290283918381
CID:1317988
PubChem ID:53215316
Update Time:2025-04-20
3-acetyl-1-benzyl-piperidin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 3-acetyl-1-benzyl-piperidin-4-one
- LogP
- 3-acetyl-1-benzylpiperidin-4-one
- AKOS015866297
- DA-24377
- 14487-99-1
- SCHEMBL11947241
-
- Inchi： 1S/C14H17NO2/c1-11(16)13-10-15(8-7-14(13)17)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
- InChI Key： BJCFFXXCSGAJQW-UHFFFAOYSA-N
- SMILES： O=C1CCN(CC2C=CC=CC=2)CC1C(C)=O
Computed Properties
- Exact Mass: 231.12601
- Monoisotopic Mass: 231.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38
3-acetyl-1-benzyl-piperidin-4-one Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
14487-99-1 (3-acetyl-1-benzyl-piperidin-4-one) Related Products
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- 72351-49-6(3-Pyrrolidinecarboxaldehyde,1-(phenylmethyl)-)
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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