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Molecule
(1-Methylpiperidin-4-Yl)Methanamine
CAS: 7149-42-0 · C7H16N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7149-42-0
- Molecular Formula
- C7H16N2
- Molecular Mass
- 128.22 g/mol
Identifiers
CAS Registry Number
7149-42-0
SMILES
CN1CCC(CN)CC1
InChI Key
AGTPSAZJSOQXHJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3
Names and Synonyms
- (1-Methylpiperidin-4-Yl)Methanamine Synonym
- 4-Piperidinemethanamine, 1-methyl- Synonym
- Piperidine, 4-(aminomethyl)-1-methyl- Synonym
- 1-Methyl-4-piperidinemethanamine Synonym
- 4-Aminomethyl-1-methylpiperidine Synonym
- NSC 72092 Synonym
- 1-Methyl-4-(aminomethyl)piperidine Synonym
- 1-(1-Methylpiperidin-4-yl)methanamine Synonym
- (1-Methylpiperidin-4-yl)methanamine Synonym
- [(1-Methylpiperidin-4-yl)methyl]amine Synonym
- (1-Methyl-4-piperidyl)methanamine Synonym
- (1-Methylpiperidin-4-yl)methaneamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.22 g/mol | CAS Common Chemistry |
| 128.219 g/mol | RDKit | |
| Canonical SMILES | NCC1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AGTPSAZJSOQXHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (1-Methylpiperidin-4-yl)methanamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 0.2868999999999998 | RDKit |
| 0.2869 | RDKit | |
| Molar Refractivity | 39.2754 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 128.131348512 g/mol | RDKit |
| Boiling Point | 80-81 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 128.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16N2.
