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4-Amino-1-Benzylpiperidine
CAS: 50541-93-0 | C12H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50541-93-0
Molecular Formula:
C12H18N2
Molecular Mass:
190.29 g/mol
Names and Synonyms:
4-Amino-1-Benzylpiperidine
4-Piperidinamine, 1-(phenylmethyl)-
1-(Phenylmethyl)-4-piperidinamine
4-Amino-1-benzylpiperidine
1-Benzyl-4-aminopiperidine
4-Amino-1-(phenylmethyl)piperidine
4-Amino-N-benzylpiperidine
1-Benzyl-4-piperidinamine
N-Benzyl-4-aminopiperidine
1-Benzyl-4-piperidinylamine
N-Benzyl-4-piperidinamine
2-Amino-1-benzylpiperidine
(1-Benzylpiperidin-4-yl)amine
1-Benzylpiperidine-4-amine
Identifiers:
SMILES:
NC1CCN(Cc2ccccc2)CC1
InChI:
InChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
Key Properties
Melting Point
121-122 °C @ Solvent: Water, Ethanol
CAS Common Chemistry
Density
1.01 g/cm³
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 |
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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 | 190.29 g/mol | CAS Common Chemistry |
| 190.28999999999996 g/mol | RDKit | |
| 190.146998576 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.008 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | NC1CCN(CC=2C=CC=CC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YUBDLZGUSSWQSS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 121-122 °C @ Solvent: Water, Ethanol | CAS Common Chemistry |
| Name | 4-Amino-1-benzylpiperidine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 1.6096999999999995 | RDKit |
| Molar Refractivity | 58.92840000000004 | RDKit |
