| CAS Number | 184921-06-0 |
| Catalog Number | AG01DZ4I(AGN-PC-0JW3H1) |
| Chemical Name | 1-[(3-Bromophenyl)methyl]piperidin-4-ol |
| IUPAC Name | 1-[(3-bromophenyl)methyl]piperidin-4-ol |
| InChI | InChI=1S/C12H16BrNO/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9H2 |
| InChI Key | GYEDHELORMIYNA-UHFFFAOYSA-N |
| MDL Number | MFCD00977077 |
| Molecular Formula | C12H16BrNO |
| Molecular Weight | 270.1655 |
| SMILES | OC1CCN(CC2=CC(Br)=CC=C2)CC1 |
| Synonyms | 1-(3-Bromo-benzyl)-piperidin-4-ol,
184921-06-0,
1-(3-bromo)benzylpiperidin-4-ol,
1-(3-bromobenzyl)piperidin-4-ol,
BAS 00639104,
AC1LG4WV,
Oprea1_203777,
Oprea1_703373,
SCHEMBL8553889,
GYEDHELORMIYNA-UHFFFAOYSA-N,
HMS1579C03,
ZINC240486,
AKOS008950860,
MCULE-1654487721,
1-[(3-bromophenyl)methyl]piperidin-4-ol,
AB00078454-01,
CID765218,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.17g/mol |
| Monoisotopic Mass | 269.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number