1-Benzyl-2,6-dimethylpiperazine

HCID 336485

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4143-59-3
Standard SMILES: CC1CNCC(C)N1Cc1ccccc1
InChIKey: BNPHYNQCHNBJEL-UHFFFAOYSA-N
Molecular formula: C13H20N2
Average molar mass: 204.31 g/mol
Monoisotopic mass: 204.16264864

Names & identifiers

Preferred name: 1-Benzyl-2,6-dimethylpiperazine
IUPAC: 1-benzyl-2,6-dimethylpiperazine

Names & synonyms

4143-59-31-benzyl-2,6-dimethylpiperazineNSC351108SCHEMBL1310133SCHEMBL5542671DTXSID10319817AKOS013043865NSC-351108

Database identifiers

CAS: 4143-59-3
PubChem CID: 336485
DTXSID: DTXSID10319817

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 177

Related reactions

3 records

New reaction record

HRID 197614 reaction equation

HRID 197614As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1575901 reaction equation

HRID 1575901As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2133074 reaction equation

HRID 2133074As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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