1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine

C14H20Br2N2O — CID 53233588

IUPAC1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine
SMILESCC(CN1CCN(C)CC1)Oc1c(Br)cccc1Br
InChIInChI=1S/C14H20Br2N2O/c1-11(10-18-8-6-17(2)7-9-18)19-14-12(15)4-3-5-13(14)16/h3-5,11H,6-10H2,1-2H3
InChIKeyPLHQXQUGSJBBTM-UHFFFAOYSA-N
MW392.14 g/mol
LogP3.23
Rot. Bonds4

About 1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine

1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine (PubChem CID 53233588) has the molecular formula C14H20Br2N2O and a molecular weight of 392.14 g/mol. Its IUPAC name is 1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine
PubChem CID53233588
Molecular FormulaC14H20Br2N2O
Molecular Weight392.14 g/mol
Exact Mass389.99
IUPAC Name1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine
SMILESCC(CN1CCN(C)CC1)Oc1c(Br)cccc1Br
InChIInChI=1S/C14H20Br2N2O/c1-11(10-18-8-6-17(2)7-9-18)19-14-12(15)4-3-5-13(14)16/h3-5,11H,6-10H2,1-2H3
InChIKeyPLHQXQUGSJBBTM-UHFFFAOYSA-N
XLogP3.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine (CID 53233588) is 1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine is CC(CN1CCN(C)CC1)Oc1c(Br)cccc1Br.
What is the InChIKey of 1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine?
The InChIKey is PLHQXQUGSJBBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O/c1-11(10-18-8-6-17(2)7-9-18)19-14-12(15)4-3-5-13(14)16/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine?
1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine has a molecular weight of 392.14 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dibromophenoxy)propyl]-4-methylpiperazine is sourced from PubChem (CID 53233588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).