| CAS Number | 700794-55-4 |
| Catalog Number | AG00FDA5(AGN-PC-03ZTOI) |
| Chemical Name | 4-(3-Chloro-4-methylphenyl)piperidin-4-ol |
| IUPAC Name | 4-(3-chloro-4-methylphenyl)piperidin-4-ol |
| InChI | InChI=1S/C12H16ClNO/c1-9-2-3-10(8-11(9)13)12(15)4-6-14-7-5-12/h2-3,8,14-15H,4-7H2,1H3 |
| InChI Key | ZVUFSWNZVOZTKV-UHFFFAOYSA-N |
| MDL Number | MFCD12027280 |
| Molecular Formula | C12H16ClNO |
| Molecular Weight | 225.7145 |
| SMILES | Cc1ccc(cc1Cl)C1(O)CCNCC1 |
| Synonyms | 4-(3-chloro-4-methylphenyl)piperidin-4-ol,
700794-55-4,
SCHEMBL2274924,
CTK6B9551,
DTXSID10631026,
ALBB-006904,
ZX-AN006538,
ZX-CM001622,
8389AE,
MFCD12027280,
STK504180,
ZINC32919510,
AKOS000266224,
MCULE-5972949392,
RTR-059355,
AJ-85802,
TR-059355,
4-(3-chloro-4-methylphenyl)-4-piperidinol,
Y-6981,
C12H16ClNO,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.716g/mol |
| Monoisotopic Mass | 225.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number