5TT
~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine
Created: | 2015-12-01 |
Last modified: | 2016-02-03 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 0 |
Bond Count | 36 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | ~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine |
Systematic Name (OpenEye OEToolkits) | ~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine |
Formula | C13 H20 N2 |
Molecular Weight | 204.311 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CNCc1ccc(cc1)N2CCCCC2 |
SMILES | OpenEye OEToolkits | 2.0.4 | CNCc1ccc(cc1)N2CCCCC2 |
Canonical SMILES | CACTVS | 3.385 | CNCc1ccc(cc1)N2CCCCC2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.4 | CNCc1ccc(cc1)N2CCCCC2 |
InChI | InChI | 1.03 | InChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3 |
InChIKey | InChI | 1.03 | ABHBNGLDUNAXSR-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 7060582 |
ChEMBL | CHEMBL4096606 |