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1-Piperazinepropanol
CAS: 5317-32-8 | C7H16N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5317-32-8
Molecular Formula:
C7H16N2O
Molecular Mass:
144.22 g/mol
Names and Synonyms:
1-Piperazinepropanol
1-Piperazinepropanol
3-(1-Piperazinyl)-1-propanol
N-(3-Hydroxypropyl)piperazine
1-(3-Hydroxypropyl)piperazine
1-(3-Hydroxy-1-propyl)piperazine
3-(1-Piperazinyl)propanol
4-(3-Hydroxypropyl)piperazine
1-(3-Hydroxypropyl)-4-piperazine
3-(Piperazin-1-yl)propan-1-ol
Identifiers:
SMILES:
OCCCN1CCNCC1
InChI:
InChI=1S/C7H16N2O/c10-7-1-4-9-5-2-8-3-6-9/h8,10H,1-7H2
Key Properties
Boiling Point
115-120 °C @ Press: 0.7 Torr
CAS Common Chemistry
Melting Point
200-215 °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 | 144.22 g/mol | CAS Common Chemistry |
| 144.218 g/mol | RDKit | |
| 144.126263132 g/mol | RDKit | |
| Boiling Point | 115-120 °C @ Press: 0.7 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCN1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2O/c10-7-1-4-9-5-2-8-3-6-9/h8,10H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LWEOFVINMVZGAS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200-215 °C | CAS Common Chemistry |
| Name | 1-Piperazinepropanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.5 Ų | RDKit |
| LogP | -0.7259999999999993 | RDKit |
| Molar Refractivity | 41.0125 | RDKit |
