Cas no 79005-55-3 (3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile)
79005-55-3 structure
Product Name:3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile
CAS No:79005-55-3
MF:C9H14N2O
MW:166.220262050629
CID:984467
PubChem ID:300920
Update Time:2025-04-20
3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile
- 3-(4-methylpiperidino)-3-oxopropanenitrile
- AC1L6XAO
- DivK1c_001343
- HMS548N17
- Maybridge1_002591
- MolPort-002-894-384
- NSC176406
- SureCN6421780
- SR-01000575435
- CHEMBL1868536
- DTXSID50306448
- HMS2783F13
- CD 00230
- AKOS000170917
- SR-01000575435-1
- NSC-176406
- CDS1_000303
- NSC 176406
- 79005-55-3
- EU-0029340
- SCHEMBL6421780
- MLS000851203
- SMR000457446
- DS-004584
- 3-(4-Methyl-1-piperidyl)-3-oxo-propanenitrile
-
- Inchi： 1S/C9H14N2O/c1-8-3-6-11(7-4-8)9(12)2-5-10/h8H,2-4,6-7H2,1H3
- InChI Key： OFLGUADWZSEQEI-UHFFFAOYSA-N
- SMILES： O=C(CC#N)N1CCC(C)CC1
Computed Properties
- Exact Mass: 166.11072
- Monoisotopic Mass: 166.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 208
- 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: 0.9
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.1
- LogP: 1.09648
3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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