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Molecule
1-(1-Adamantyl)Piperazine
CAS: 19984-46-4 · C14H24N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19984-46-4
- Molecular Formula
- C14H24N2
- Molecular Mass
- 220.36 g/mol
Identifiers
CAS Registry Number
19984-46-4
SMILES
C1CN(C23CC4CC(CC(C4)C2)C3)CCN1
InChI Key
DXYGTOJPNHDXRM-UHFFFAOYSA-N
InChI
InChI=1S/C14H24N2/c1-3-16(4-2-15-1)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,1-10H2
Names and Synonyms
- 1-(1-Adamantyl)Piperazine Systematic Name
- Piperazine, 1-tricyclo[3.3.1.13,7]dec-1-yl- Synonym
- Piperazine, 1-(1-adamantyl)- Synonym
- 1-Tricyclo[3.3.1.13,7]dec-1-ylpiperazine Synonym
- 1-(1-Adamantyl)piperazine Synonym
- N-1-Adamantylpiperazine Synonym
- 1-(N-Piperazino)adamantane Synonym
- 1-(Adamantan-1-yl)piperazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.36 g/mol | CAS Common Chemistry |
| 220.35999999999993 g/mol | RDKit | |
| Canonical SMILES | N1CCN(CC1)C23CC4CC(CC(C4)C2)C3 | CAS Common Chemistry |
| InChI | InChI=1S/C14H24N2/c1-3-16(4-2-15-1)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DXYGTOJPNHDXRM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83-85 °C (sublm) | CAS Common Chemistry |
| Name | 1-(1-Adamantyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| 15.04 Ų | chempirical lib | |
| LogP | 1.8603999999999998 | RDKit |
| 1.8604 | RDKit | |
| Molar Refractivity | 65.34570000000005 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 220.19394876799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 220.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H24N2.
