1-(3-Methoxy-4-nitrophenyl)piperidin-4-one
Product Specifications
- CAS
- 761440-64-6
- Molecular Formula
- C12H14N2O4
- Appearance
- yellow to off-white solid
- Synonym(s)
- 1-(3-Methoxy-4-nitrophenyl)piperidin-4-one; 4-Piperidinone, 1-(3-methoxy-4-nitrophenyl)-; 1-(3-Methoxy-4-nitrophenyl)-4-piperidinone
- Shipping
- ambient temperature
- Storage
- 2-8°C
- SMILES
- COC1=C(C=CC(=C1)N2CCC(=O)CC2)[N+](=O)[O-]
- InChI
- InChI=1S/C12H14N2O4/c1-18-12-8-9(2-3-11(12)14(16)17)13-6-4-10(15)5-7-13/h2-3,8H,4-7H2,1H3
Product Information
1-(3-Methoxy-4-nitrophenyl)piperidin-4-one is identified by CAS 761440-64-6, formula C12H14N2O4, and molecular weight 250.25. The CAS maps to a single PubChem entry, CID 25918857. PubChem records SMILES COC1=C(C=CC(=C1)N2CCC(=O)CC2)[N+](=O)[O-] and InChIKey VWVGKNTWOBCSTI-UHFFFAOYSA-N for this exact connectivity. These identifiers describe one neutral molecular component.
The piperidine nitrogen is bonded directly to the substituted phenyl ring, while the carbonyl at piperidine position 4 defines the piperidin-4-one portion. Relative to that ring attachment, the aromatic methoxy group occupies position 3 and the nitro group position 4. The nitro fragment is written in charge-separated form in the SMILES, with one positive nitrogen and one negative oxygen, but the complete molecule has no net charge. Its second nitrogen is the piperidine ring atom, and all four oxygens are accounted for by methoxy, nitro, and ketone groups.
An identity-focused inquiry to Rlavie should state CAS 761440-64-6, the complete locanted name, and the requested quantity. Add a MOL or SDF structure file so the N-aryl bond, piperidone carbonyl, and neighboring 3-methoxy and 4-nitro placements can be checked against PubChem CID 25918857, the official SMILES, and InChIKey VWVGKNTWOBCSTI-UHFFFAOYSA-N. This graph comparison should precede review of request-specific details. Formula C12H14N2O4 does not distinguish other substitution patterns, and an abbreviated “methoxy nitrophenyl piperidone” description omits the connections that define this record.