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Molecule
1-[2-(1-Pyrrolidinyl)Ethyl]Piperazine
CAS: 22763-69-5 · C10H21N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22763-69-5
- Molecular Formula
- C10H21N3
- Molecular Mass
- 183.30 g/mol
Identifiers
CAS Registry Number
22763-69-5
SMILES
C1CCN(CCN2CCNCC2)C1
InChI Key
UXHZIFKPLFIPSX-UHFFFAOYSA-N
InChI
InChI=1S/C10H21N3/c1-2-6-12(5-1)9-10-13-7-3-11-4-8-13/h11H,1-10H2
Names and Synonyms
- 1-[2-(1-Pyrrolidinyl)Ethyl]Piperazine Systematic Name
- Piperazine, 1-[2-(1-pyrrolidinyl)ethyl]- Synonym
- 1-[2-(1-Pyrrolidinyl)ethyl]piperazine Synonym
- 1-(2-Pyrrolidinoethyl)piperazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.30 g/mol | CAS Common Chemistry |
| 183.29899999999998 g/mol | RDKit | |
| 183.299 g/mol | RDKit | |
| Canonical SMILES | N1CCN(CC1)CCN2CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H21N3/c1-2-6-12(5-1)9-10-13-7-3-11-4-8-13/h11H,1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UXHZIFKPLFIPSX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-[2-(1-Pyrrolidinyl)ethyl]piperazine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.509999999999998 Ų | RDKit |
| 18.51 Ų | RDKit | |
| 18.05 Ų | chempirical lib | |
| LogP | -0.012599999999998834 | RDKit |
| -0.0126 | RDKit | |
| Molar Refractivity | 54.98370000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 183.17354767199998 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 = 183.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H21N3.
