(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

C14H18Br2N2O — CID 113345359

IUPAC(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Br)cc2Br)CC1C
InChIInChI=1S/C14H18Br2N2O/c1-3-17-6-7-18(9-10(17)2)14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyMNWWYHHHSTYCFC-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.38
Rot. Bonds2

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

(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (PubChem CID 113345359) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
PubChem CID113345359
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Br)cc2Br)CC1C
InChIInChI=1S/C14H18Br2N2O/c1-3-17-6-7-18(9-10(17)2)14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyMNWWYHHHSTYCFC-UHFFFAOYSA-N
XLogP3.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-fluorophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55216223
(2,4-dibromophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 107952420
(2-bromo-5-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621547
(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 103883074
(5-bromo-2-chloro-3-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55217552
(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621212
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718
(4-chloro-3-methylpiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941466
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299105
(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 115413260
(5-bromo-4-methylthiophen-2-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 79987355
(3-bromopiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941058

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (CID 113345359) is (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(Br)cc2Br)CC1C.
What is the InChIKey of (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The InChIKey is MNWWYHHHSTYCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-3-17-6-7-18(9-10(17)2)14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone has a molecular weight of 390.12 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 113345359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).