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Piperidine
CAS: 110-89-4 | C5H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-89-4
Molecular Formula:
C5H11N
Molecular Mass:
85.15 g/mol
Names and Synonyms:
Piperidine
Piperidine
Azacyclohexane
Cyclopentimine
Cypentil
Hexahydropyridine
Hexazane
Pentamethylenimine
Pyridine, hexahydro-
Perhydropyridine
Identifiers:
SMILES:
C1CCNCC1
InChI:
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
Key Properties
Boiling Point
106 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-7 °C
CAS Common Chemistry
Density
0.86 g/cm³
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 | 85.15 g/mol | CAS Common Chemistry |
| 85.08914935199999 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8622 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Piperidine | CAS Common Chemistry |
| Boiling Point | 106 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | N1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NQRYJNQNLNOLGT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -7 °C | CAS Common Chemistry |
| Name | Piperidine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 0.7599 | RDKit |
| Molar Refractivity | 26.72069999999999 | RDKit |
