Details of the Drug

General Information of Drug (ID: DMONGDX)

Drug Name
4-Piperidino-Piperidine
Synonyms
4-Piperidinopiperidine; 4897-50-1; 1,4'-Bipiperidine; 4-PIPERIDINO-PIPERIDINE; 1,4'-Bipiperidyl; 1,4-Bipiperidine; [1,4']BIPIPERIDINYL; 4-(1-piperidinyl)piperidine; 1-(piperidin-4-yl)piperidine; 4-(piperidin-1-yl)piperidine; 4-Piperidino piperidine; 4-piperidin-1-ylpiperidine; 1-(4-PIPERIDYL)PIPERIDINE; CHEMBL174391; CHEBI:40117; QDVBKXJMLILLLB-UHFFFAOYSA-N; N-(4-PIPERIDINO)PIPERIDINE; MFCD00006475; 4-piperidylpiperidine; {1,4'}bipiperidinyl; 4PN; 1,4'-bipiperidin; 4-Piperidinopiperidine, 95%, tech.
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 168.28
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H20N2
IUPAC Name
1-piperidin-4-ylpiperidine
Canonical SMILES
C1CCN(CC1)C2CCNCC2
InChI
InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2
InChIKey
QDVBKXJMLILLLB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
78607
ChEBI ID
CHEBI:40117
CAS Number
4897-50-1
DrugBank ID
DB03056
TTD ID
D07WHV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Liver carboxylesterase (CES1) TTMF541 EST1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Liver carboxylesterase (CES1) DTT CES1 3.82E-08 1.86 1.9
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.