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

C14H19BrN2 — CID 15137237

IUPAC1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
SMILESBrc1ccc2c(c1)CCC(N1CCNCC1)C2
InChIInChI=1S/C14H19BrN2/c15-13-3-1-12-10-14(4-2-11(12)9-13)17-7-5-16-6-8-17/h1,3,9,14,16H,2,4-8,10H2
InChIKeyKCSGMUWQQPLSSZ-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.21
Rot. Bonds1

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

1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine (PubChem CID 15137237) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine.

Molecular Properties

Compound Name1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
PubChem CID15137237
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
SMILESBrc1ccc2c(c1)CCC(N1CCNCC1)C2
InChIInChI=1S/C14H19BrN2/c15-13-3-1-12-10-14(4-2-11(12)9-13)17-7-5-16-6-8-17/h1,3,9,14,16H,2,4-8,10H2
InChIKeyKCSGMUWQQPLSSZ-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The IUPAC name of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine (CID 15137237) is 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine.
What is the SMILES notation for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The canonical SMILES for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine is Brc1ccc2c(c1)CCC(N1CCNCC1)C2.
What is the InChIKey of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The InChIKey is KCSGMUWQQPLSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c15-13-3-1-12-10-14(4-2-11(12)9-13)17-7-5-16-6-8-17/h1,3,9,14,16H,2,4-8,10H2.
What are the key properties of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine has a molecular weight of 295.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine is sourced from PubChem (CID 15137237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).