(2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone

C14H18Br2N2O — CID 107952423

IUPAC(2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Br)cc2Br)CC1(C)C
InChIInChI=1S/C14H18Br2N2O/c1-14(2)9-18(7-6-17(14)3)13(19)11-5-4-10(15)8-12(11)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyFCIAQKKVNAIMSE-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.38
Rot. Bonds1

About (2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone

(2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 107952423) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID107952423
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name(2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Br)cc2Br)CC1(C)C
InChIInChI=1S/C14H18Br2N2O/c1-14(2)9-18(7-6-17(14)3)13(19)11-5-4-10(15)8-12(11)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyFCIAQKKVNAIMSE-UHFFFAOYSA-N
XLogP3.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-sulfanylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107029870
(2-bromo-5-nitrophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63634493
(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 55249335
(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63619887
methyl 4-(2,4-dibromobenzoyl)piperazine-1-carboxylate
CID 103882580
(2,4-dibromophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 107952420
(2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 114018454
(2-bromo-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114037418
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359
(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 103883074
4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide
CID 103882891
1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103882529

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 107952423) is (2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(Br)cc2Br)CC1(C)C.
What is the InChIKey of (2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is FCIAQKKVNAIMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-14(2)9-18(7-6-17(14)3)13(19)11-5-4-10(15)8-12(11)16/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of (2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
(2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 390.12 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 107952423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).