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4-Piperidinepropanol
CAS: 7037-49-2 | C8H17NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7037-49-2
Molecular Formula:
C8H17NO
Molecular Mass:
143.23 g/mol
Names and Synonyms:
4-Piperidinepropanol
4-Piperidinepropanol
3-(4-Piperidinyl)-1-propanol
4-(3-Hydroxypropyl)piperidine
3-(4-Piperidinyl)propanol
Identifiers:
SMILES:
OCCCC1CCNCC1
InChI:
InChI=1S/C8H17NO/c10-7-1-2-8-3-5-9-6-4-8/h8-10H,1-7H2
Key Properties
Boiling Point
130-131 °C @ Press: 1.5 Torr
CAS Common Chemistry
Melting Point
65 °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 | 143.23 g/mol | CAS Common Chemistry |
| 143.131014164 g/mol | RDKit | |
| Boiling Point | 130-131 °C @ Press: 1.5 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCC1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H17NO/c10-7-1-2-8-3-5-9-6-4-8/h8-10H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DBIMLJDSPUCGGY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65 °C | CAS Common Chemistry |
| Name | 4-Piperidinepropanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 0.7585 | RDKit |
| Molar Refractivity | 41.913500000000006 | RDKit |
