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Molecule
1-Piperazinepropanol
CAS: 5317-32-8 · C7H16N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5317-32-8
- Molecular Formula
- C7H16N2O
- Molecular Mass
- 144.22 g/mol
Identifiers
CAS Registry Number
5317-32-8
SMILES
OCCCN1CCNCC1
InChI Key
LWEOFVINMVZGAS-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2O/c10-7-1-4-9-5-2-8-3-6-9/h8,10H,1-7H2
Names and Synonyms
- 1-Piperazinepropanol Synonym
- 1-Piperazinepropanol Synonym
- 3-(1-Piperazinyl)-1-propanol Synonym
- N-(3-Hydroxypropyl)piperazine Synonym
- 1-(3-Hydroxypropyl)piperazine Synonym
- 1-(3-Hydroxy-1-propyl)piperazine Synonym
- 3-(1-Piperazinyl)propanol Synonym
- 4-(3-Hydroxypropyl)piperazine Synonym
- 1-(3-Hydroxypropyl)-4-piperazine Synonym
- 3-(Piperazin-1-yl)propan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.22 g/mol | CAS Common Chemistry |
| 144.218 g/mol | RDKit | |
| 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 |
| 35.27 Ų | chempirical lib | |
| LogP | -0.7259999999999993 | RDKit |
| -0.726 | RDKit | |
| Molar Refractivity | 41.0125 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 144.126263132 g/mol | RDKit |
| Boiling Point | 115-120 °C @ 0.7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 144.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16N2O.
