91B
Summary
Name: | 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE |
Synonyms: | FRAGMENT CC35913 |
Formula: | C12 H19 N3 |
Formal charge: | 0 |
Formula weight: | 205.299 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-[3-(4-methylpiperazin-1-yl)phenyl]methanamine |
OpenEye OEToolkits | 1.9.2 | [3-(4-methylpiperazin-1-yl)phenyl]methanamine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2c(N1CCN(C)CC1)cc(cc2)CN |
InChI | InChI | 1.03 | InChI=1S/C12H19N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8,10,13H2,1H3 |
InChIKey | InChI | 1.03 | VKTLTRIKVYJVOX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2cccc(CN)c2 |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2cccc(CN)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)c2cccc(c2)CN |
SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)c2cccc(c2)CN |