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4-N-(1-benzyl-4-methylpiperidin-3-yl)-4-N-methylpyridine-2,3,4-triamine (HCID 77529635)|Huagongshe
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Compound
4-N-(1-benzyl-4-methylpiperidin-3-yl)-4-N-methylpyridine-2,3,4-triamine
HCID
77529635
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
CC1CCN(Cc2ccccc2)CC1N(C)c1ccnc(N)c1N
InChIKey
QIFWDCJPXLPPMI-UHFFFAOYSA-N
Molecular formula
C19H27N5
Average molar mass
325.5 g/mol
Monoisotopic mass
325.22664588
Names & identifiers
Preferred name
4-N-(1-benzyl-4-methylpiperidin-3-yl)-4-N-methylpyridine-2,3,4-triamine
IUPAC
4-N-(1-benzyl-4-methylpiperidin-3-yl)-4-N-methylpyridine-2,3,4-triamine
Database identifiers
PubChem CID
77529635
Properties
Computed structural properties
XLogP
2.5
Topological polar surface area
71.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
384
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Related reactions
1 records
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As product
As reagent
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As solvent
HRID
104708
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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