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4-(1-Pyrrolidinyl)Piperidine
CAS: 5004-07-9 | C9H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5004-07-9
Molecular Formula:
C9H18N2
Molecular Mass:
154.26 g/mol
Names and Synonyms:
4-(1-Pyrrolidinyl)Piperidine
Piperidine, 4-(1-pyrrolidinyl)-
4-(1-Pyrrolidinyl)piperidine
4-Pyrrolidinopiperidine
4-(Pyrrolidinyl)piperidine
4-(1-Pyrrolidino)piperidine
1-(Piperidin-4-yl)pyrrolidine
Identifiers:
SMILES:
C1CCN(C2CCNCC2)C1
InChI:
InChI=1S/C9H18N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h9-10H,1-8H2
Key Properties
Melting Point
57-59 °C
CAS Common Chemistry
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 | 154.26 g/mol | CAS Common Chemistry |
| 154.25699999999998 g/mol | RDKit | |
| 154.146998576 g/mol | RDKit | |
| Canonical SMILES | N1CCC(N2CCCC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H18N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h9-10H,1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=STWODXDTKGTVCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57-59 °C | CAS Common Chemistry |
| Name | 4-(1-Pyrrolidinyl)piperidine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 0.8341999999999998 | RDKit |
| Molar Refractivity | 46.698700000000024 | RDKit |
