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Biphenyl-2-Ylcarbamic Acid Piperidin-4-Yl Ester
CAS: 171722-92-2 | C18H20N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
171722-92-2
Molecular Formula:
C18H20N2O2
Molecular Mass:
296.37 g/mol
Names and Synonyms:
Biphenyl-2-Ylcarbamic Acid Piperidin-4-Yl Ester
Carbamic acid, N-[1,1′-biphenyl]-2-yl-, 4-piperidinyl ester
Carbamic acid, [1,1′-biphenyl]-2-yl-, 4-piperidinyl ester
4-Piperidyl N-(2-biphenylyl)carbamate
Biphenyl-2-ylcarbamic Acid Piperidin-4-yl Ester
Identifiers:
SMILES:
OC(=Nc1ccccc1-c1ccccc1)OC1CCNCC1
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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 296.37 g/mol | CAS Common Chemistry |
| 296.15247788 g/mol | RDKit | |
| 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 |
| LogP | 3.6677000000000017 | RDKit |
| Molar Refractivity | 88.57850000000005 | RDKit |
