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Molecule
4-(Aminomethyl)-1-Methyl-4-Piperidinol
CAS: 26228-68-2 · C7H16N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26228-68-2
- Molecular Formula
- C7H16N2O
- Molecular Mass
- 144.22 g/mol
Identifiers
CAS Registry Number
26228-68-2
SMILES
CN1CCC(O)(CN)CC1
InChI Key
JUHFGHWNBYGKCW-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2O/c1-9-4-2-7(10,6-8)3-5-9/h10H,2-6,8H2,1H3
Names and Synonyms
- 4-(Aminomethyl)-1-Methyl-4-Piperidinol Synonym
- 4-Piperidinol, 4-(aminomethyl)-1-methyl- Synonym
- 4-(Aminomethyl)-1-methyl-4-piperidinol Synonym
- 4-Amino-4-hydroxymethyl-1-methylpiperidine Synonym
- 4-Aminomethyl-4-hydroxy-1-methylpiperidine Synonym
- 4-Aminomethyl-1-methylpiperidin-4-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.22 g/mol | CAS Common Chemistry |
| 144.218 g/mol | RDKit | |
| Canonical SMILES | OC1(CN)CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2O/c1-9-4-2-7(10,6-8)3-5-9/h10H,2-6,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JUHFGHWNBYGKCW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(Aminomethyl)-1-methyl-4-piperidinol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.489999999999995 Ų | RDKit |
| 49.49 Ų | RDKit | |
| 49.26 Ų | chempirical lib | |
| LogP | -0.5981999999999996 | RDKit |
| -0.5982 | RDKit | |
| Molar Refractivity | 40.7352 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 144.126263132 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 144.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16N2O.
