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Molecule
1-Benzyl-4-(Phenylamino)Piperidine
CAS: 1155-56-2 · C18H22N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1155-56-2
- Molecular Formula
- C18H22N2
- Molecular Mass
- 266.39 g/mol
Identifiers
CAS Registry Number
1155-56-2
SMILES
c1ccc(CN2CCC(Nc3ccccc3)CC2)cc1
InChI Key
FSXGJIFBTBJMHV-UHFFFAOYSA-N
InChI
InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
Names and Synonyms
- 1-Benzyl-4-(Phenylamino)Piperidine Systematic Name
- 4-Piperidinamine, N-phenyl-1-(phenylmethyl)- Synonym
- Piperidine, 4-anilino-1-benzyl- Synonym
- N-Phenyl-1-(phenylmethyl)-4-piperidinamine Synonym
- 4-Anilino-1-benzylpiperidine Synonym
- 1-Benzyl-4-anilinopiperidine Synonym
- 1-Benzyl-4-(phenylamino)piperidine Synonym
- NSC 76613 Synonym
- 1-Benzyl-N-phenylpiperidin-4-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.39 g/mol | CAS Common Chemistry |
| 266.388 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)NC2CCN(CC=3C=CC=CC3)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FSXGJIFBTBJMHV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 848-886 °C | CAS Common Chemistry |
| Name | 1-Benzyl-4-(phenylamino)piperidine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| 15.04 Ų | chempirical lib | |
| LogP | 3.7631000000000023 | RDKit |
| 3.7631 | RDKit | |
| 3.67 | chempirical lib | |
| Molar Refractivity | 84.80570000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 266.178298704 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 266.39 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H22N2.
