Back to Search
N-Methyl-1-(Phenylmethyl)-4-Piperidinamine
CAS: 7006-50-0 | C13H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7006-50-0
Molecular Formula:
C13H20N2
Molecular Mass:
204.32 g/mol
Names and Synonyms:
N-Methyl-1-(Phenylmethyl)-4-Piperidinamine
4-Piperidinamine, N-methyl-1-(phenylmethyl)-
Piperidine, 1-benzyl-4-(methylamino)-
N-Methyl-1-(phenylmethyl)-4-piperidinamine
1-Benzyl-4-(methylamino)piperidine
4-(Methylamino)-1-benzylpiperidine
N-Methyl-1-benzyl-4-piperidinamine
1-Benzyl-N-methylpiperidin-4-amine
N-Methyl-(1-benzylpiperidin-4-yl)amine
Identifiers:
SMILES:
CNC1CCN(Cc2ccccc2)CC1
InChI:
InChI=1S/C13H20N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
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 | 204.32 g/mol | CAS Common Chemistry |
| 204.317 g/mol | RDKit | |
| 204.16264864 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)CN2CCC(NC)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H20N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RGEQSTMITLEXKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-1-(phenylmethyl)-4-piperidinamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 1.8703999999999996 | RDKit |
| Molar Refractivity | 63.80070000000005 | RDKit |
