(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C15H20Br2N2O — CID 114371674

IUPAC(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H20Br2N2O/c1-11(2)10-18-5-7-19(8-6-18)15(20)13-9-12(16)3-4-14(13)17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyAIJRMJJZRBFDSD-UHFFFAOYSA-N
MW404.15 g/mol
LogP3.63
Rot. Bonds3

About (2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 114371674) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is (2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID114371674
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC Name(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H20Br2N2O/c1-11(2)10-18-5-7-19(8-6-18)15(20)13-9-12(16)3-4-14(13)17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyAIJRMJJZRBFDSD-UHFFFAOYSA-N
XLogP3.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60698441
2-[4-(2,5-dibromobenzoyl)piperazin-1-yl]acetonitrile
CID 114369476
2-[4-(2,5-dibromobenzoyl)piperazin-1-yl]propanoic acid
CID 114367989
(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62776114
2-[4-(2,5-dibromobenzoyl)piperazin-1-yl]butanenitrile
CID 114369478
(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62953905
(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107074618
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 103863563
(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
(5-fluoro-2-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 79882938
(3-bromo-4-methoxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60682587

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 114371674) is (2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of (2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is AIJRMJJZRBFDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c1-11(2)10-18-5-7-19(8-6-18)15(20)13-9-12(16)3-4-14(13)17/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of (2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 404.15 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 114371674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).