Cas no 3116-33-4 (1-Pentanone,1-(1-piperidinyl)-2-propyl-)
3116-33-4 structure
Product Name:1-Pentanone,1-(1-piperidinyl)-2-propyl-
CAS No:3116-33-4
MF:C13H25NO
MW:211.343703985214
CID:314624
PubChem ID:201026
Update Time:2025-04-19
1-Pentanone,1-(1-piperidinyl)-2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone,1-(1-piperidinyl)-2-propyl-
- 1-piperidin-1-yl-2-propylpentan-1-one
- 5-20-02-00447 (Beilstein Handbook Reference)
- 3116-33-4
- Piperidine, 1-(2-propylvaleryl)-
- 1-(2-Propylvaleryl)piperidine
- Ketone, 4-heptyl piperidino
- BRN 1309077
- DTXSID00185088
-
- Inchi： 1S/C13H25NO/c1-3-8-12(9-4-2)13(15)14-10-6-5-7-11-14/h12H,3-11H2,1-2H3
- InChI Key： OQQCTKXMRYGFFX-UHFFFAOYSA-N
- SMILES： O=C(C(CCC)CCC)N1CCCCC1
Computed Properties
- Exact Mass: 211.19375
- Monoisotopic Mass: 211.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 179
- 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: 3.4
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- Density: 0.9305 (rough estimate)
- Boiling Point: 351.04°C (rough estimate)
- Flash Point: 134.3°C
- Refractive Index: 1.4410 (estimate)
- PSA: 20.31
1-Pentanone,1-(1-piperidinyl)-2-propyl- Related Literature
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
3116-33-4 (1-Pentanone,1-(1-piperidinyl)-2-propyl-) Related Products
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- 19597-07-0(1,3-Dimethylpyrrolidin-2-one)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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