Back to Search
1-(3-Methoxypropyl)-4-Piperidinamine
CAS: 179474-79-4 | C9H20N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
179474-79-4
Molecular Formula:
C9H20N2O
Molecular Mass:
172.27 g/mol
Names and Synonyms:
1-(3-Methoxypropyl)-4-Piperidinamine
4-Piperidinamine, 1-(3-methoxypropyl)-
1-(3-Methoxypropyl)-4-piperidinamine
Identifiers:
SMILES:
COCCCN1CCC(N)CC1
InChI:
InChI=1S/C9H20N2O/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8,10H2,1H3
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 | 172.27 g/mol | CAS Common Chemistry |
| 172.272 g/mol | RDKit | |
| 172.15756326 g/mol | RDKit | |
| Canonical SMILES | O(C)CCCN1CCC(N)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H20N2O/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HIXAJGFVNMKLML-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(3-Methoxypropyl)-4-piperidinamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.49 Ų | RDKit |
| LogP | 0.4460000000000005 | RDKit |
| Molar Refractivity | 50.14240000000003 | RDKit |
