Back to Search
4-Piperidinemethanol, Α,Α-Diphenyl-, Hydrochloride (1:1)
CAS: 1798-50-1 | C18H22ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1798-50-1
Molecular Formula:
C18H22ClNO
Molecular Mass:
303.83 g/mol
Names and Synonyms:
4-Piperidinemethanol, Α,Α-Diphenyl-, Hydrochloride (1:1)
4-Piperidinemethanol, α,α-diphenyl-, hydrochloride (1:1)
4-Piperidinemethanol, α,α-diphenyl-, hydrochloride
Azacyclonol hydrochloride
α,α-Diphenyl-4-piperidinemethanol hydrochloride
Frenquel hydrochloride
Frenquel
Diphenyl(4-piperidyl)methanol hydrochloride
Identifiers:
SMILES:
Cl.OC(c1ccccc1)(c1ccccc1)C1CCNCC1
InChI:
InChI=1S/C18H21NO.ClH/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;/h1-10,17,19-20H,11-14H2;1H
Key Properties
Melting Point
283-285 °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 | 303.83 g/mol | CAS Common Chemistry |
| 303.83300000000014 g/mol | RDKit | |
| 303.138992004 g/mol | RDKit | |
| Canonical SMILES | Cl.OC(C=1C=CC=CC1)(C=2C=CC=CC2)C3CCNCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H21NO.ClH/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;/h1-10,17,19-20H,11-14H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=LBRAWKGGVUCSOX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 283-285 °C | CAS Common Chemistry |
| Name | 4-Piperidinemethanol, α,α-diphenyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 3.3439000000000014 | RDKit |
| Molar Refractivity | 88.72450000000005 | RDKit |
