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4-Piperidinamine, 1-(Phenylmethyl)-, Hydrochloride (1:2)
CAS: 1205-72-7 | C12H20Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1205-72-7
Molecular Formula:
C12H20Cl2N2
Molecular Mass:
263.21 g/mol
Names and Synonyms:
4-Piperidinamine, 1-(Phenylmethyl)-, Hydrochloride (1:2)
4-Piperidinamine, 1-(phenylmethyl)-, hydrochloride (1:2)
Piperidine, 4-amino-1-benzyl-, dihydrochloride
4-Piperidinamine, 1-(phenylmethyl)-, dihydrochloride
4-Amino-1-benzylpiperidine dihydrochloride
1-Benzyl-4-aminopiperidine dihydrochloride
Identifiers:
SMILES:
Cl.Cl.NC1CCN(Cc2ccccc2)CC1
InChI:
InChI=1S/C12H18N2.2ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12H,6-10,13H2;2*1H
Key Properties
Melting Point
275 °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 | 263.21 g/mol | CAS Common Chemistry |
| 263.21200000000005 g/mol | RDKit | |
| 262.100354 g/mol | RDKit | |
| Canonical SMILES | Cl.NC1CCN(CC=2C=CC=CC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H18N2.2ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12H,6-10,13H2;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=RDEUNWFXSVDHCI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 275 °C | CAS Common Chemistry |
| Name | 4-Piperidinamine, 1-(phenylmethyl)-, hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 2.4533000000000005 | RDKit |
| Molar Refractivity | 73.42440000000003 | RDKit |
