| CAS Number | 4960-10-5 |
| Catalog Number | AG00DNWQ(AGN-PC-0S3R79) |
| Chemical Name | 1-[2-(diphenylmethoxy)ethyl]piperidine |
| IUPAC Name | 1-(2-benzhydryloxyethyl)piperidine |
| InChI | InChI=1S/C20H25NO/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)22-17-16-21-14-8-3-9-15-21/h1-2,4-7,10-13,20H,3,8-9,14-17H2 |
| InChI Key | ZVWXNGJQZCPYLK-UHFFFAOYSA-N |
| MDL Number | MFCD00868392 |
| Molecular Formula | C20H25NO |
| Molecular Weight | 295.4186 |
| SMILES | N1(CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CCCCC1 |
| UNII | BJ563H8V4W |
| Synonyms | Perastine,
1-(2-benzhydryloxyethyl)piperidine,
4960-10-5,
UNII-BJ563H8V4W,
BJ563H8V4W,
Perastine [INN],
SCHEMBL1506306,
CHEMBL1742412,
CTK4J1424,
DTXSID20197926,
AC1L9260,
ZINC1482139,
1-(2-(Diphenylmethoxy)ethyl)piperidine,
1-(2-(Diphenylmethoxy)-ethyl)piperidine,
CID411828,
Benzhydryl 2-(piperidino)ethyl ether hydrochloride,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.426g/mol |
| Monoisotopic Mass | 295.194g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number