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Molecule
4-Piperidinemethanol, Α,Α-Diphenyl-, Hydrochloride (1:1)
CAS: 1798-50-1 · C18H22ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1798-50-1
- Molecular Formula
- C18H22ClNO
- Molecular Mass
- 303.83 g/mol
Identifiers
CAS Registry Number
1798-50-1
SMILES
Cl.OC(c1ccccc1)(c1ccccc1)C1CCNCC1
InChI Key
LBRAWKGGVUCSOX-UHFFFAOYSA-N
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
Names and Synonyms
- 4-Piperidinemethanol, Α,Α-Diphenyl-, Hydrochloride (1:1) Synonym
- 4-Piperidinemethanol, α,α-diphenyl-, hydrochloride (1:1) Synonym
- 4-Piperidinemethanol, α,α-diphenyl-, hydrochloride Synonym
- Azacyclonol hydrochloride Synonym
- α,α-Diphenyl-4-piperidinemethanol hydrochloride Synonym
- Frenquel hydrochloride Synonym
- Frenquel Synonym
- Diphenyl(4-piperidyl)methanol hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.83 g/mol | CAS Common Chemistry |
| 303.83300000000014 g/mol | RDKit | |
| 303.833 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 |
| 3.3439 | RDKit | |
| Molar Refractivity | 88.72450000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 303.138992004 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.
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MW = 303.83 g/mol. Edit any field — others recompute live.
