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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 Weight:
154.25699999999998 g/mol
Names and Synonyms:
4-(1-Pyrrolidinyl)Piperidine
1-(Piperidin-4-yl)pyrrolidine
4-(1-Pyrrolidino)piperidine
4-(Pyrrolidinyl)piperidine
4-Pyrrolidinopiperidine
4-(1-Pyrrolidinyl)piperidine
Piperidine, 4-(1-pyrrolidinyl)-
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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.26 g/mol | Legacy Database |
| cas-canonical-smile | N1CCC(N2CCCC2)CC1 | Legacy Database | |
| cas-inchi | InChI=1S/C9H18N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h9-10H,1-8H2 | Legacy Database | |
| cas-inchi-key | InChIKey=STWODXDTKGTVCJ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 57-59 °C | Legacy Database | |
| cas-name | 4-(1-Pyrrolidinyl)piperidine | Legacy Database | |
| LogP | 0.8341999999999998 | RDKit | |
| Molecular | Molecular Weight | 154.25699999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.146998576 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 15.27 Ų | RDKit |
| Molar | Molar Refractivity | 46.698700000000024 | RDKit |
