| CAS Number | 1094353-30-6 |
| Catalog Number | AG01A8XJ |
| Chemical Name | {1-[(3-aminophenyl)methyl]piperidin-4-yl}methanol |
| IUPAC Name | [1-[(3-aminophenyl)methyl]piperidin-4-yl]methanol |
| InChI | InChI=1S/C13H20N2O/c14-13-3-1-2-12(8-13)9-15-6-4-11(10-16)5-7-15/h1-3,8,11,16H,4-7,9-10,14H2 |
| InChI Key | SQCGHKYCWVXBPL-UHFFFAOYSA-N |
| MDL Number | MFCD11132973 |
| Molecular Formula | C13H20N2O |
| Molecular Weight | 220.3107 |
| SMILES | NC1=CC(CN2CCC(CO)CC2)=CC=C1 |
| Synonyms | {1-[(3-aminophenyl)methyl]piperidin-4-yl}methanol,
1094353-30-6,
(1-[(3-aminophenyl)methyl]piperidin-4-yl)methanol,
AC1Q51NG,
SCHEMBL14048044,
ZINC36882932,
AKOS009289784,
NE29991,
EN300-62840,
(1-[(3-aminophenyl)methyl]piperidin-4-yl)methanol, AldrichCPR,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.316g/mol |
| Monoisotopic Mass | 220.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number