| CAS Number | 179234-89-0 |
| Catalog Number | AG019F1D |
| Chemical Name | 3-[1-(Phenylmethyl)-4-piperidinyl]-1H-indole |
| IUPAC Name | 3-(1-benzylpiperidin-4-yl)-1H-indole |
| InChI | InChI=1S/C20H22N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-9,14,17,21H,10-13,15H2 |
| InChI Key | JXRNDNNHGLPJNC-UHFFFAOYSA-N |
| MDL Number | MFCD11840337 |
| Molecular Formula | C20H22N2 |
| Molecular Weight | 290.4021 |
| SMILES | C=1C=CC(=CC1)CN2CCC(C3=CNC=4C=CC=CC43)CC2 |
| Synonyms | 3-(1-benzylpiperidin-4-yl)-1H-indole,
101832-90-0,
179234-89-0,
SCHEMBL9032088,
CHEMBL3617893,
ZINC40442664,
3-(1-benzylpiperidin-4-yl)-1H-indole-B28233,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.41g/mol |
| Monoisotopic Mass | 290.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 19A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number