| CAS Number | 188869-26-3 |
| Catalog Number | AG002HFA(AGN-PC-0QI758) |
| Chemical Name | Trans-4-(4-fluorophenyl)-3-hydroxymethylpiperidine |
| IUPAC Name | [(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol |
| InChI | InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10-,12-/m1/s1 |
| InChI Key | IBOPBHBOBJYXTD-ZYHUDNBSSA-N |
| MDL Number | MFCD03839854 |
| Molecular Formula | C12H16FNO |
| Molecular Weight | 209.2599 |
| SMILES | FC1C=CC(=CC=1)[C@@H]1CCNC[C@H]1CO |
| Synonyms | 188869-26-3,
(trans-4-(4-Fluorophenyl)piperidin-3-yl)methanol,
trans-(4-(4'-fluorophenyl)-3-hydroxymethyl)-piperidine,
SCHEMBL1096634,
ZINC2512940,
AB0073132,
AX8154754,
X-3308,
4beta-(4-Fluorophenyl)-3alpha-piperidinemethanol,
trans-4-(4'-fluorophenyl)-3-hydroxymethylpiperidine,
trans-(4-(4\\'-Fluorophenyl)-3-hydroxymethyl)-piperidine,
TRANS-(4-(4-FLUOROPHENYL)-3-HYDROXYMETHYL)-PIPERIDINE,
CID9942517,
[4-(4-fluorophenyl)-3-piperidyl]methanol,
trans-4-(4-fluorophenyl)-3-hydroxymethylpiperidine,
trans-4-(4'-Fluorophenyl)3-hydroxymethyl)-piperidine,
3-Piperidinemethanol, 4-(4-fluorophenyl)-, (3R,4S)-,
179463-85-5,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.264g/mol |
| Monoisotopic Mass | 209.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H319-H412
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Packing Group
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Precautionary statements
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P273-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number