1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

C15H21BrN2 — CID 15137254

IUPAC1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
SMILESCC1c2ccc(Br)cc2CCC1N1CCNCC1
InChIInChI=1S/C15H21BrN2/c1-11-14-4-3-13(16)10-12(14)2-5-15(11)18-8-6-17-7-9-18/h3-4,10-11,15,17H,2,5-9H2,1H3
InChIKeyYMGPBDJGQHZRBT-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.77
Rot. Bonds1

About 1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine (PubChem CID 15137254) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine.

Molecular Properties

Compound Name1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
PubChem CID15137254
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
SMILESCC1c2ccc(Br)cc2CCC1N1CCNCC1
InChIInChI=1S/C15H21BrN2/c1-11-14-4-3-13(16)10-12(14)2-5-15(11)18-8-6-17-7-9-18/h3-4,10-11,15,17H,2,5-9H2,1H3
InChIKeyYMGPBDJGQHZRBT-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The IUPAC name of 1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine (CID 15137254) is 1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine.
What is the SMILES notation for 1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The canonical SMILES for 1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine is CC1c2ccc(Br)cc2CCC1N1CCNCC1.
What is the InChIKey of 1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The InChIKey is YMGPBDJGQHZRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-11-14-4-3-13(16)10-12(14)2-5-15(11)18-8-6-17-7-9-18/h3-4,10-11,15,17H,2,5-9H2,1H3.
What are the key properties of 1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine has a molecular weight of 309.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine is sourced from PubChem (CID 15137254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).