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1-Benzyl-4-(Phenylamino)Piperidine
CAS: 1155-56-2 | C18H22N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1155-56-2
Molecular Formula:
C18H22N2
Molecular Mass:
266.39 g/mol
Names and Synonyms:
1-Benzyl-4-(Phenylamino)Piperidine
4-Piperidinamine, N-phenyl-1-(phenylmethyl)-
Piperidine, 4-anilino-1-benzyl-
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
4-Anilino-1-benzylpiperidine
1-Benzyl-4-anilinopiperidine
1-Benzyl-4-(phenylamino)piperidine
NSC 76613
1-Benzyl-N-phenylpiperidin-4-amine
Identifiers:
SMILES:
c1ccc(CN2CCC(Nc3ccccc3)CC2)cc1
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
Key Properties
Melting Point
848-886 °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 | 266.39 g/mol | CAS Common Chemistry |
| 266.388 g/mol | RDKit | |
| 266.178298704 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 |
| LogP | 3.7631000000000023 | RDKit |
| Molar Refractivity | 84.80570000000004 | RDKit |
