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Molecule
4-Piperidinamine, 1-(Phenylmethyl)-, Hydrochloride (1:2)
CAS: 1205-72-7 · C12H20Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1205-72-7
- Molecular Formula
- C12H20Cl2N2
- Molecular Mass
- 263.21 g/mol
Identifiers
CAS Registry Number
1205-72-7
SMILES
Cl.Cl.NC1CCN(Cc2ccccc2)CC1
InChI Key
RDEUNWFXSVDHCI-UHFFFAOYSA-N
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
Names and Synonyms
- 4-Piperidinamine, 1-(Phenylmethyl)-, Hydrochloride (1:2) Synonym
- 4-Piperidinamine, 1-(phenylmethyl)-, hydrochloride (1:2) Synonym
- Piperidine, 4-amino-1-benzyl-, dihydrochloride Synonym
- 4-Piperidinamine, 1-(phenylmethyl)-, dihydrochloride Synonym
- 4-Amino-1-benzylpiperidine dihydrochloride Synonym
- 1-Benzyl-4-aminopiperidine dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.21 g/mol | CAS Common Chemistry |
| 263.21200000000005 g/mol | RDKit | |
| 263.212 g/mol | RDKit | |
| 263.206 g/mol | chempirical lib | |
| 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 |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 2.4533000000000005 | RDKit |
| 2.4533 | RDKit | |
| Molar Refractivity | 73.42440000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 262.100354 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
External Resources
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MW = 263.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H20Cl2N2.
