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Molecule
4-(Piperidin-4-Yl)Morpholine
CAS: 53617-35-9 · C9H18N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 53617-35-9
- Molecular Formula
- C9H18N2O
- Molecular Mass
- 170.26 g/mol
Identifiers
CAS Registry Number
53617-35-9
SMILES
C1CC(N2CCOCC2)CCN1
InChI Key
YYBXNWIRMJXEQJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2O/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h9-10H,1-8H2
Names and Synonyms
- 4-(Piperidin-4-Yl)Morpholine Synonym
- Morpholine, 4-(4-piperidinyl)- Synonym
- Morpholine, 4-(4-piperidyl)- Synonym
- 4-(4-Piperidinyl)morpholine Synonym
- 4-Morpholinopiperidine Synonym
- 4-(Piperidin-4-yl)morpholine Synonym
- 4-(Morpholin-4-yl)piperidine Synonym
- 4-(4-Piperidyl)morpholine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.26 g/mol | CAS Common Chemistry |
| 170.256 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 |
| 24.27 Ų | chempirical lib | |
| LogP | 0.07059999999999983 | RDKit |
| 0.0706 | RDKit | |
| Molar Refractivity | 48.28370000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 170.141913196 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 = 170.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H18N2O.
