2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine

C16H23BrN2O — CID 19827964

IUPAC2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine
SMILESCOc1ccc(Br)c2c1C(C)(C1CNCCN1)CCC2
InChIInChI=1S/C16H23BrN2O/c1-16(14-10-18-8-9-19-14)7-3-4-11-12(17)5-6-13(20-2)15(11)16/h5-6,14,18-19H,3-4,7-10H2,1-2H3
InChIKeyDMSDOWMZMNFLRK-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.61
Rot. Bonds2

About 2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine

2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine (PubChem CID 19827964) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine.

Molecular Properties

Compound Name2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine
PubChem CID19827964
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine
SMILESCOc1ccc(Br)c2c1C(C)(C1CNCCN1)CCC2
InChIInChI=1S/C16H23BrN2O/c1-16(14-10-18-8-9-19-14)7-3-4-11-12(17)5-6-13(20-2)15(11)16/h5-6,14,18-19H,3-4,7-10H2,1-2H3
InChIKeyDMSDOWMZMNFLRK-UHFFFAOYSA-N
XLogP2.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine?
The IUPAC name of 2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine (CID 19827964) is 2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine.
What is the SMILES notation for 2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine?
The canonical SMILES for 2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine is COc1ccc(Br)c2c1C(C)(C1CNCCN1)CCC2.
What is the InChIKey of 2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine?
The InChIKey is DMSDOWMZMNFLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-16(14-10-18-8-9-19-14)7-3-4-11-12(17)5-6-13(20-2)15(11)16/h5-6,14,18-19H,3-4,7-10H2,1-2H3.
What are the key properties of 2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine?
2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine has a molecular weight of 339.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-8-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperazine is sourced from PubChem (CID 19827964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).