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1-(Phenylmethyl)-4-Piperidinemethanol
CAS: 67686-01-5 | C13H19NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67686-01-5
Molecular Formula:
C13H19NO
Molecular Mass:
205.30 g/mol
Names and Synonyms:
1-(Phenylmethyl)-4-Piperidinemethanol
4-Piperidinemethanol, 1-(phenylmethyl)-
1-(Phenylmethyl)-4-piperidinemethanol
1-Benzyl-4-(hydroxymethyl)piperidine
1-Benzyl-4-piperidinemethanol
(1-Benzyl-4-piperidyl)methanol
N-(Phenylmethyl)piperidine-4-methanol
4-Hydroxymethyl-1-(phenylmethyl)piperidine
(1-Benzylpiperidin-4-yl)methanol
N-Benzyl-4-hydroxymethylpiperidine
Identifiers:
SMILES:
OCC1CCN(Cc2ccccc2)CC1
InChI:
InChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
Key Properties
Boiling Point
122-123 °C @ Press: 0.3 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 | 205.30 g/mol | CAS Common Chemistry |
| 205.30100000000002 g/mol | RDKit | |
| 205.146664228 g/mol | RDKit | |
| Boiling Point | 122-123 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC1CCN(CC=2C=CC=CC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FLQPYEOKVZYXRL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(Phenylmethyl)-4-piperidinemethanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 1.8909 | RDKit |
| Molar Refractivity | 61.52880000000005 | RDKit |
