(3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone

C14H19BrN2O2 — CID 63909204

IUPAC(3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2C(C)CNCC2C)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-9-7-16-8-10(2)17(9)14(18)11-4-5-13(19-3)12(15)6-11/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyVFZYWXQRBMOEMG-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.28
Rot. Bonds2

About (3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone

(3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone (PubChem CID 63909204) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
PubChem CID63909204
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2C(C)CNCC2C)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-9-7-16-8-10(2)17(9)14(18)11-4-5-13(19-3)12(15)6-11/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyVFZYWXQRBMOEMG-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909017
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
(3-bromo-4-methoxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705661
(3-bromo-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705366
(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63911962
(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 60660628
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone
CID 61235332
(3-bromo-4-methoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226218
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51218725
1-(3-bromo-4-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116917050
(3-bromo-4-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348315
2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909018

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone (CID 63909204) is (3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2C(C)CNCC2C)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The InChIKey is VFZYWXQRBMOEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-7-16-8-10(2)17(9)14(18)11-4-5-13(19-3)12(15)6-11/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
(3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone has a molecular weight of 327.22 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63909204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).