Back to Search
Molecule
4-Hydroxy-4-Phenylpiperidine
CAS: 40807-61-2 · C11H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 40807-61-2
- Molecular Formula
- C11H15NO
- Molecular Mass
- 177.25 g/mol
Identifiers
CAS Registry Number
40807-61-2
SMILES
OC1(c2ccccc2)CCNCC1
InChI Key
KQKFQBTWXOGINC-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO/c13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
Names and Synonyms
- 4-Hydroxy-4-Phenylpiperidine Systematic Name
- 4-Piperidinol, 4-phenyl- Synonym
- 4-Phenyl-4-piperidinol Synonym
- 4-Hydroxy-4-phenylpiperidine Synonym
- 4-Phenyl-4-hydroxypiperidine Synonym
- NSC 71658 Synonym
- [1,4′-Bipiperidin]-4′-ol Synonym
- 4-Phenylpiperidine-4-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 177.25 g/mol | CAS Common Chemistry |
| 177.24699999999996 g/mol | RDKit | |
| 177.247 g/mol | RDKit | |
| Canonical SMILES | OC1(C=2C=CC=CC2)CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO/c13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KQKFQBTWXOGINC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 159-160 °C | CAS Common Chemistry |
| Name | 4-Hydroxy-4-phenylpiperidine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 1.2575999999999998 | RDKit |
| 1.2576 | RDKit | |
| Molar Refractivity | 52.44250000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 177.1153641 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 177.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H15NO.
