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Molecule
Piperidine
CAS: 110-89-4 · C5H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-89-4
- Molecular Formula
- C5H11N
- Molecular Mass
- 85.15 g/mol
Identifiers
CAS Registry Number
110-89-4
SMILES
C1CCNCC1
InChI Key
NQRYJNQNLNOLGT-UHFFFAOYSA-N
InChI
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
Names and Synonyms
- Piperidine Synonym
- Piperidine Synonym
- Azacyclohexane Synonym
- Cyclopentimine Synonym
- Cypentil Synonym
- Hexahydropyridine Synonym
- Hexazane Synonym
- Pentamethylenimine Synonym
- Pyridine, hexahydro- Synonym
- Perhydropyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 85.15 g/mol | CAS Common Chemistry |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8622 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Piperidine | 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 85.08914935199999 g/mol | RDKit |
| Boiling Point | 106 °C @ 760 Torr | CAS Common Chemistry |
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 = 85.15 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11N.
