(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone

C15H20Br2N2O — CID 107973323

IUPAC(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc(Br)cc(Br)c2)C(CC)CN1
InChIInChI=1S/C15H20Br2N2O/c1-3-13-9-19(14(4-2)8-18-13)15(20)10-5-11(16)7-12(17)6-10/h5-7,13-14,18H,3-4,8-9H2,1-2H3
InChIKeyDWSZWIKPFABQDR-UHFFFAOYSA-N
MW404.15 g/mol
LogP3.81
Rot. Bonds3

About (3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone

(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone (PubChem CID 107973323) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
PubChem CID107973323
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC Name(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc(Br)cc(Br)c2)C(CC)CN1
InChIInChI=1S/C15H20Br2N2O/c1-3-13-9-19(14(4-2)8-18-13)15(20)10-5-11(16)7-12(17)6-10/h5-7,13-14,18H,3-4,8-9H2,1-2H3
InChIKeyDWSZWIKPFABQDR-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone (CID 107973323) is (3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2cc(Br)cc(Br)c2)C(CC)CN1.
What is the InChIKey of (3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone?
The InChIKey is DWSZWIKPFABQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c1-3-13-9-19(14(4-2)8-18-13)15(20)10-5-11(16)7-12(17)6-10/h5-7,13-14,18H,3-4,8-9H2,1-2H3.
What are the key properties of (3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone?
(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone has a molecular weight of 404.15 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone is sourced from PubChem (CID 107973323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).