Back to Search
Molecule
(±)-Desoxypipradrol
CAS: 519-74-4 · C18H21N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 519-74-4
- Molecular Formula
- C18H21N
- Molecular Mass
- 251.37 g/mol
Identifiers
CAS Registry Number
519-74-4
SMILES
c1ccc(C(c2ccccc2)C2CCCCN2)cc1
InChI Key
RWTNXJXZVGHMGI-UHFFFAOYSA-N
InChI
InChI=1S/C18H21N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17-19H,7-8,13-14H2
Names and Synonyms
- (±)-Desoxypipradrol Common Name
- Piperidine, 2-(diphenylmethyl)- Synonym
- 2-(Diphenylmethyl)piperidine Synonym
- Ciba 14469 Synonym
- Desoxypipradrol Synonym
- Deoxypipradrol Synonym
- (±)-Desoxypipradrol Synonym
- 2-Benzhydrylpiperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.37 g/mol | CAS Common Chemistry |
| 251.37299999999993 g/mol | RDKit | |
| 251.373 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)C3NCCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H21N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17-19H,7-8,13-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RWTNXJXZVGHMGI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65-66 °C | CAS Common Chemistry |
| Name | (±)-Desoxypipradrol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.960600000000002 | RDKit |
| 3.9606 | RDKit | |
| 4.03 | chempirical lib | |
| Molar Refractivity | 80.36870000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 251.167399672 g/mol | RDKit |
| Boiling Point | 150-151 °C @ 0.03 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
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 |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 251.37 g/mol. Edit any field — others recompute live.
