N-methyl N-(1-methyl-piperidin-4-yl)-pyridine-2,6-diamine (HCID 58997271)

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Basic information

Standard SMILES: CN1CCC(N(C)c2cccc(N)n2)CC1
InChIKey: NGFRHTGWBZDLHX-UHFFFAOYSA-N
Molecular formula: C12H20N4
Average molar mass: 220.31 g/mol

Names & identifiers

Preferred name: N-methyl N-(1-methyl-piperidin-4-yl)-pyridine-2,6-diamine
IUPAC: 6-N-methyl-6-N-(1-methylpiperidin-4-yl)pyridine-2,6-diamine

Names & synonyms

SCHEMBL1198081NGFRHTGWBZDLHX-UHFFFAOYSA-NAKOS019213651N-methyl N-(1-methyl-piperidin-4-yl)-pyridine-2,6-diamineN-methyl-N-(1-methyl-piperidin-4-yl)-pyridine-2,6-diamine

Database identifiers

PubChem CID: 58997271

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 45.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 213

Related reactions

39 records

New reaction record

HRID 90375As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 108283As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 117307As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 144680As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 162227As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 667640As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 805742As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1116174As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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