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Molecule
4-(4-Fluorophenyl)-4-Hydroxypiperidine
CAS: 3888-65-1 · C11H14FNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3888-65-1
- Molecular Formula
- C11H14FNO
- Molecular Mass
- 195.24 g/mol
Identifiers
CAS Registry Number
3888-65-1
SMILES
OC1(c2ccc(F)cc2)CCNCC1
InChI Key
QXWRXWPNHLIZBV-UHFFFAOYSA-N
InChI
InChI=1S/C11H14FNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
Names and Synonyms
- 4-(4-Fluorophenyl)-4-Hydroxypiperidine Synonym
- 4-Piperidinol, 4-(4-fluorophenyl)- Synonym
- 4-Piperidinol, 4-(p-fluorophenyl)- Synonym
- 4-(4-Fluorophenyl)-4-piperidinol Synonym
- 4-(p-Fluorophenyl)-4-piperidinol Synonym
- 4-(4-Fluorophenyl)-4-hydroxypiperidine Synonym
- 4-Hydroxy-4-(4-fluorophenyl)piperidine Synonym
- NSC 90449 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.24 g/mol | CAS Common Chemistry |
| 195.23699999999994 g/mol | RDKit | |
| 195.237 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(C=C1)C2(O)CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H14FNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QXWRXWPNHLIZBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116.4-117.6 °C | CAS Common Chemistry |
| Name | 4-(4-Fluorophenyl)-4-hydroxypiperidine | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 1.3967 | RDKit |
| Molar Refractivity | 52.40050000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 195.105942288 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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.
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MW = 195.24 g/mol. Edit any field — others recompute live.
