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(±)-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
Names and Synonyms:
(±)-Desoxypipradrol
Piperidine, 2-(diphenylmethyl)-
2-(Diphenylmethyl)piperidine
Ciba 14469
Desoxypipradrol
Deoxypipradrol
(±)-Desoxypipradrol
2-Benzhydrylpiperidine
Identifiers:
SMILES:
c1ccc(C(c2ccccc2)C2CCCCN2)cc1
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
Key Properties
Boiling Point
150-151 °C @ Press: 0.03 Torr
CAS Common Chemistry
Melting Point
65-66 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.37 g/mol | CAS Common Chemistry |
| 251.37299999999993 g/mol | RDKit | |
| 251.167399672 g/mol | RDKit | |
| Boiling Point | 150-151 °C @ Press: 0.03 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 80.36870000000005 | RDKit |
