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4-(Piperidin-4-Yl)Morpholine
CAS: 53617-35-9 | C9H18N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
53617-35-9
Molecular Formula:
C9H18N2O
Molecular Mass:
170.26 g/mol
Names and Synonyms:
4-(Piperidin-4-Yl)Morpholine
Morpholine, 4-(4-piperidinyl)-
Morpholine, 4-(4-piperidyl)-
4-(4-Piperidinyl)morpholine
4-Morpholinopiperidine
4-(Piperidin-4-yl)morpholine
4-(Morpholin-4-yl)piperidine
4-(4-Piperidyl)morpholine
Identifiers:
SMILES:
C1CC(N2CCOCC2)CCN1
InChI:
InChI=1S/C9H18N2O/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h9-10H,1-8H2
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 | 170.26 g/mol | CAS Common Chemistry |
| 170.256 g/mol | RDKit | |
| 170.141913196 g/mol | RDKit | |
| Canonical SMILES | O1CCN(CC1)C2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H18N2O/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h9-10H,1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YYBXNWIRMJXEQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(Piperidin-4-yl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.5 Ų | RDKit |
| LogP | 0.07059999999999983 | RDKit |
| Molar Refractivity | 48.28370000000003 | RDKit |
