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Molecule
Biphenyl-2-Ylcarbamic Acid Piperidin-4-Yl Ester
CAS: 171722-92-2 · C18H20N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 171722-92-2
- Molecular Formula
- C18H20N2O2
- Molecular Mass
- 296.37 g/mol
Identifiers
CAS Registry Number
171722-92-2
SMILES
OC(=Nc1ccccc1-c1ccccc1)OC1CCNCC1
InChI Key
AGZCCVMWUZINGV-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N2O2/c21-18(22-15-10-12-19-13-11-15)20-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15,19H,10-13H2,(H,20,21)
Names and Synonyms
- Biphenyl-2-Ylcarbamic Acid Piperidin-4-Yl Ester Synonym
- Carbamic acid, N-[1,1′-biphenyl]-2-yl-, 4-piperidinyl ester Synonym
- Carbamic acid, [1,1′-biphenyl]-2-yl-, 4-piperidinyl ester Synonym
- 4-Piperidyl N-(2-biphenylyl)carbamate Synonym
- Biphenyl-2-ylcarbamic Acid Piperidin-4-yl Ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 296.37 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(OC1CCNCC1)NC=2C=CC=CC2C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H20N2O2/c21-18(22-15-10-12-19-13-11-15)20-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15,19H,10-13H2,(H,20,21) | CAS Common Chemistry |
| InChI Key | InChIKey=AGZCCVMWUZINGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Biphenyl-2-ylcarbamic Acid Piperidin-4-yl Ester | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 53.85000000000001 Ų | RDKit |
| 53.85 Ų | RDKit | |
| LogP | 3.6677000000000017 | RDKit |
| 3.6677 | RDKit | |
| Molar Refractivity | 88.57850000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2778 | RDKit |
| 0.28 | chempirical lib | |
| Exact Mass | 296.15247788 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.
External Resources
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MW = 296.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H20N2O2.
