| CAS Number | 1353878-04-2 |
| Catalog Number | AG00IZS2(AGN-PC-0WB0RE) |
| Chemical Name | 4-{[(2,4-Dichlorophenyl)amino]methyl}piperidin-4-ol |
| IUPAC Name | 4-[(2,4-dichloroanilino)methyl]piperidin-4-ol |
| InChI | InChI=1S/C12H16Cl2N2O/c13-9-1-2-11(10(14)7-9)16-8-12(17)3-5-15-6-4-12/h1-2,7,15-17H,3-6,8H2 |
| InChI Key | BQHORDCKIUYVIO-UHFFFAOYSA-N |
| MDL Number | MFCD20444435 |
| Molecular Formula | C12H16Cl2N2O |
| Molecular Weight | 275.1742 |
| SMILES | ClC2(=C(NCC1(O)(CCNCC1))C=CC(=C2)Cl) |
| Synonyms | 4-{[(2,4-dichlorophenyl)amino]methyl}piperidin-4-ol,
1353878-04-2,
dichlorophenylaminomethylpiperidinol,
ZX-RL003418,
MFCD20444435,
ZINC71616027,
AKOS015991521,
LF-0035,
MCULE-6404688995,
RP15288,
KS-000027J4,
OR310166,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.173g/mol |
| Monoisotopic Mass | 274.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number