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1-Benzyl-4-[N-propyl-N-(3-amino-2-pyridinyl)amino]piperidine

HCID 10568019
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Basic information

Standard SMILES
CCCN(c1ncccc1N)C1CCN(Cc2ccccc2)CC1
InChIKey
LRFBNPLDVRUZSG-UHFFFAOYSA-N
Molecular formula
C20H28N4
Average molar mass
324.5 g/mol
Monoisotopic mass
324.23139691

Names & identifiers

Preferred name
1-Benzyl-4-[N-propyl-N-(3-amino-2-pyridinyl)amino]piperidine
IUPAC
2-N-(1-benzylpiperidin-4-yl)-2-N-propylpyridine-2,3-diamine

Names & synonyms

SCHEMBL8792258LRFBNPLDVRUZSG-UHFFFAOYSA-N1-Benzyl-4-[N-propyl-N-(3-amino-2-pyridinyl)amino]piperidine

Database identifiers

PubChem CID
10568019

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
45.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Formal charge
0
Complexity
348

Related reactions

5 records
New reaction record
HRID 361821 reaction equation
HRID 361821As productuspto-grants-1999_02
HRID 361822 reaction equation
HRID 361822As reactantuspto-grants-1999_02
HRID 361829 reaction equation
HRID 361829As reactantuspto-grants-1999_02
HRID 2130275 reaction equation
HRID 2130275As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2158492 reaction equation
HRID 2158492As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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