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Molecule
1-(Phenylmethyl)-4-Piperidinemethanol
CAS: 67686-01-5 · C13H19NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 67686-01-5
- Molecular Formula
- C13H19NO
- Molecular Mass
- 205.30 g/mol
Identifiers
CAS Registry Number
67686-01-5
SMILES
OCC1CCN(Cc2ccccc2)CC1
InChI Key
FLQPYEOKVZYXRL-UHFFFAOYSA-N
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
Names and Synonyms
- 1-(Phenylmethyl)-4-Piperidinemethanol Synonym
- 4-Piperidinemethanol, 1-(phenylmethyl)- Synonym
- 1-(Phenylmethyl)-4-piperidinemethanol Synonym
- 1-Benzyl-4-(hydroxymethyl)piperidine Synonym
- 1-Benzyl-4-piperidinemethanol Synonym
- (1-Benzyl-4-piperidyl)methanol Synonym
- N-(Phenylmethyl)piperidine-4-methanol Synonym
- 4-Hydroxymethyl-1-(phenylmethyl)piperidine Synonym
- (1-Benzylpiperidin-4-yl)methanol Synonym
- N-Benzyl-4-hydroxymethylpiperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.30 g/mol | CAS Common Chemistry |
| 205.30100000000002 g/mol | RDKit | |
| 205.301 g/mol | RDKit | |
| 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 |
| 23.24 Ų | chempirical lib | |
| LogP | 1.8909 | RDKit |
| Molar Refractivity | 61.52880000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5385 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 205.146664228 g/mol | RDKit |
| Boiling Point | 122-123 °C @ 0.3 Torr | CAS Common Chemistry |
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 = 205.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H19NO.
