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4-(3-Phenylpropyl)Piperidine
CAS: 18495-82-4 | C14H21N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18495-82-4
Molecular Formula:
C14H21N
Molecular Mass:
203.33 g/mol
Names and Synonyms:
4-(3-Phenylpropyl)Piperidine
Piperidine, 4-(3-phenylpropyl)-
4-(3-Phenylpropyl)piperidine
4-(γ-Phenylpropyl)piperidine
4-(3-Phenylpropan-1-yl)piperidine
Identifiers:
SMILES:
c1ccc(CCCC2CCNCC2)cc1
InChI:
InChI=1S/C14H21N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,14-15H,4,7-12H2
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 | 203.33 g/mol | CAS Common Chemistry |
| 203.32899999999998 g/mol | RDKit | |
| 203.167399672 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)CCCC2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H21N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,14-15H,4,7-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HASRFXGIJALRRB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(3-Phenylpropyl)piperidine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.0089000000000015 | RDKit |
| Molar Refractivity | 64.97370000000004 | RDKit |
