| CAS Number | 1171227-22-7 |
| Catalog Number | AG018SFH(AGN-PC-0WBQF7) |
| Chemical Name | 3-(4-Aminopiperidine-1-carbonyl)phenol hydrochloride |
| IUPAC Name | (4-aminopiperidin-1-yl)-(3-hydroxyphenyl)methanone;hydrochloride |
| InChI | InChI=1S/C12H16N2O2.ClH/c13-10-4-6-14(7-5-10)12(16)9-2-1-3-11(15)8-9;/h1-3,8,10,15H,4-7,13H2;1H |
| InChI Key | CBDVRISMWNRNLF-UHFFFAOYSA-N |
| MDL Number | MFCD11858005 |
| Molecular Formula | C12H17ClN2O2 |
| Molecular Weight | 256.7286 |
| SMILES | C1=CC(=CC(=C1)O)C(=O)N2CCC(CC2)N.Cl |
| Synonyms | 3-(4-aminopiperidine-1-carbonyl)phenol hydrochloride,
1171227-22-7,
3-[(4-aminopiperidin-1-yl)carbonyl]phenol hydrochloride,
AC1Q3D2H,
CTK7E0009,
AKOS026677418,
MCULE-9253022304,
NE54934,
EN300-43032,
F8889-9346,
Z444350032,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.73g/mol |
| Monoisotopic Mass | 256.098g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number