L18

(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine

Created: 2008-04-04
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count3
Bond Count49
Aromatic Bond Count6
2D diagram of L18
Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine
Systematic Name (OpenEye OEToolkits)(1R,2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenyl-pentyl]piperidine
FormulaC18 H29 N
Molecular Weight259.43
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04c1ccccc1C(C)CC(CC2N(C)CCCC2)C
SMILESCACTVS3.341C[CH](C[CH](C)c1ccccc1)C[CH]2CCCCN2C
SMILESOpenEye OEToolkits1.5.0CC(CC1CCCCN1C)CC(C)c2ccccc2
Canonical SMILESCACTVS3.341 C[C@@H](C[C@@H](C)c1ccccc1)C[C@@H]2CCCCN2C
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@H](C[C@@H]1CCCC[N@]1C)C[C@@H](C)c2ccccc2
InChIInChI1.03 InChI=1S/C18H29N/c1-15(14-18-11-7-8-12-19(18)3)13-16(2)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3/t15-,16+,18-/m0/s1
InChIKeyInChI1.03 UEEAJOUBQAEABH-JZXOWHBKSA-N

Drug Info: DrugBank

DrugBank IDDB08071 
Name(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine
Groups experimental
Synonyms(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine

Drug Targets

NameTarget SequencePharmacological ActionActions
Probable L-lysine-epsilon aminotransferaseMAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 46937121