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1-(1-Naphthyl)Piperazine
CAS: 57536-86-4 | C14H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57536-86-4
Molecular Formula:
C14H16N2
Molecular Mass:
212.30 g/mol
Names and Synonyms:
1-(1-Naphthyl)Piperazine
Piperazine, 1-(1-naphthalenyl)-
1-(1-Naphthalenyl)piperazine
1-(1-Naphthyl)piperazine
1-α-Naphthylpiperazine
N-(1-Naphthyl)piperazine
Identifiers:
SMILES:
c1ccc2c(N3CCNCC3)cccc2c1
InChI:
InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
Key Properties
Boiling Point
144-147 °C @ Press: 1 Torr
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 | 212.30 g/mol | CAS Common Chemistry |
| 212.296 g/mol | RDKit | |
| 212.131348512 g/mol | RDKit | |
| Boiling Point | 144-147 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)C=CC=C2N3CCNCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VNICFCQJUVFULD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(1-Naphthyl)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 | 2 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 2.2494000000000005 | RDKit |
| Molar Refractivity | 69.03070000000002 | RDKit |
