| CAS Number | 1303973-25-2 |
| Catalog Number | AG00HS1D(AGN-PC-0WCBY4) |
| Chemical Name | (1-Benzyl-4,4-Difluoropiperidin-3-Yl)Methanol |
| IUPAC Name | (1-benzyl-4,4-difluoropiperidin-3-yl)methanol |
| InChI | InChI=1S/C13H17F2NO/c14-13(15)6-7-16(9-12(13)10-17)8-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2 |
| InChI Key | DMXXITLTOBWYSU-UHFFFAOYSA-N |
| MDL Number | MFCD18909828 |
| Molecular Formula | C13H17F2NO |
| Molecular Weight | 241.2770 |
| SMILES | OCC1C(F)(F)CCN(CC2=CC=CC=C2)C1 |
| Synonyms | (1-BENZYL-4,4-DIFLUOROPIPERIDIN-3-YL)METHANOL,
1303973-25-2,
SCHEMBL12490905,
DMXXITLTOBWYSU-UHFFFAOYSA-N,
BBL102033,
MFCD18909828,
STL555832,
AKOS016016127,
AS-39117,
Z-0689,
[4,4-Difluoro-1-(phenylmethyl)-3-piperidinyl]methanol,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.282g/mol |
| Monoisotopic Mass | 241.128g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number