| CAS Number | 1158446-46-8 |
| Catalog Number | AG00J212 |
| Chemical Name | 3-[(3-Amino-1-piperidinyl)methyl]phenol dihydrochloride |
| IUPAC Name | 3-[(3-aminopiperidin-1-yl)methyl]phenol;dihydrochloride |
| InChI | InChI=1S/C12H18N2O.2ClH/c13-11-4-2-6-14(9-11)8-10-3-1-5-12(15)7-10;;/h1,3,5,7,11,15H,2,4,6,8-9,13H2;2*1H |
| InChI Key | HXMPQJUWZQAXEO-UHFFFAOYSA-N |
| MDL Number | MFCD18483491 |
| Molecular Formula | C12H20Cl2N2O |
| Molecular Weight | 279.2060 |
| SMILES | C1CC(CN(C1)CC2=CC(=CC=C2)O)N.Cl.Cl |
| Synonyms | 3-[(3-AMINO-1-PIPERIDINYL)METHYL]PHENOL DIHYDROCHLORIDE,
1158446-46-8,
ZX-CM007496,
MFCD18483491,
MCULE-4882899329,
1044766-89-3,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.205g/mol |
| Monoisotopic Mass | 278.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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