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Molecule
N-Methyl-1-(Phenylmethyl)-4-Piperidinamine
CAS: 7006-50-0 · C13H20N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7006-50-0
- Molecular Formula
- C13H20N2
- Molecular Mass
- 204.32 g/mol
Identifiers
CAS Registry Number
7006-50-0
SMILES
CNC1CCN(Cc2ccccc2)CC1
InChI Key
RGEQSTMITLEXKD-UHFFFAOYSA-N
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
Names and Synonyms
- N-Methyl-1-(Phenylmethyl)-4-Piperidinamine Common Name
- 4-Piperidinamine, N-methyl-1-(phenylmethyl)- Synonym
- Piperidine, 1-benzyl-4-(methylamino)- Synonym
- N-Methyl-1-(phenylmethyl)-4-piperidinamine Synonym
- 1-Benzyl-4-(methylamino)piperidine Synonym
- 4-(Methylamino)-1-benzylpiperidine Synonym
- N-Methyl-1-benzyl-4-piperidinamine Synonym
- 1-Benzyl-N-methylpiperidin-4-amine Synonym
- N-Methyl-(1-benzylpiperidin-4-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.32 g/mol | CAS Common Chemistry |
| 204.317 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 |
| 15.04 Ų | chempirical lib | |
| LogP | 1.8703999999999996 | RDKit |
| 1.8704 | RDKit | |
| Molar Refractivity | 63.80070000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5385 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 204.16264864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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.
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MW = 204.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H20N2.
