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Molecule
(Piperazin-1-Yl)(Tetrahydrofuran-2-Yl)Methanone
CAS: 63074-07-7 · C9H16N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 63074-07-7
- Molecular Formula
- C9H16N2O2
- Molecular Mass
- 184.24 g/mol
Identifiers
CAS Registry Number
63074-07-7
SMILES
O=C(C1CCCO1)N1CCNCC1
InChI Key
UKESBLFBQANJHH-UHFFFAOYSA-N
InChI
InChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2
Names and Synonyms
- (Piperazin-1-Yl)(Tetrahydrofuran-2-Yl)Methanone Common Name
- Methanone, 1-piperazinyl(tetrahydro-2-furanyl)- Synonym
- Piperazine, 1-[(tetrahydro-2-furanyl)carbonyl]- Synonym
- 1-Piperazinyl(tetrahydro-2-furanyl)methanone Synonym
- N-(Tetrahydro-2-furoyl)piperazine Synonym
- 1-(Tetrahydro-2-furoyl)piperazine Synonym
- 1-(Tetrahydrofuran-2-carbonyl)piperazine Synonym
- 1-(Tetrahydrofuran-2-ylcarbonyl)piperazine Synonym
- (Piperazin-1-yl)(tetrahydrofuran-2-yl)methanone Synonym
- 1-[(2,3,4,5-Tetrahydrofuran-2-yl)carbonyl]piperazine Synonym
- 4-[(Tetrahydrofuran-2-yl)carbonyl]piperazine Synonym
- 1-(Oxolane-2-carbonyl)piperazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.24 g/mol | CAS Common Chemistry |
| 184.239 g/mol | RDKit | |
| Canonical SMILES | O=C(N1CCNCC1)C2OCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UKESBLFBQANJHH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Piperazin-1-yl)(tetrahydrofuran-2-yl)methanone | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.57 Ų | RDKit |
| 41.34 Ų | chempirical lib | |
| LogP | -0.40279999999999916 | RDKit |
| -0.4028 | RDKit | |
| Molar Refractivity | 48.42370000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 184.121177752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 184.24 g/mol. Edit any field — others recompute live.
