1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine

C18H23BrN2 — CID 81267340

IUPAC1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc3cc(Br)ccc3c2)C(C)CN1
InChIInChI=1S/C18H23BrN2/c1-4-18(3)12-21(13(2)11-20-18)17-8-6-14-9-16(19)7-5-15(14)10-17/h5-10,13,20H,4,11-12H2,1-3H3
InChIKeyYHDSWUDRSZVYRJ-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.57
Rot. Bonds2

About 1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine

1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine (PubChem CID 81267340) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine
PubChem CID81267340
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc3cc(Br)ccc3c2)C(C)CN1
InChIInChI=1S/C18H23BrN2/c1-4-18(3)12-21(13(2)11-20-18)17-8-6-14-9-16(19)7-5-15(14)10-17/h5-10,13,20H,4,11-12H2,1-3H3
InChIKeyYHDSWUDRSZVYRJ-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64940819
5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 64930940
5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine
CID 64935551
N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline
CID 64941181
1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64934721
1-(2,5-dibromophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933819
1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 107794409
1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64933605
1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine
CID 64934365
5-ethyl-1-(2-ethylphenyl)-2,5-dimethylpiperazine
CID 64932411
5-ethyl-2,5-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine
CID 107646236
5-ethyl-2,5-dimethyl-1-(2-methylphenyl)piperazine
CID 64930880

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine (CID 81267340) is 1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine is CCC1(C)CN(c2ccc3cc(Br)ccc3c2)C(C)CN1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine?
The InChIKey is YHDSWUDRSZVYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-18(3)12-21(13(2)11-20-18)17-8-6-14-9-16(19)7-5-15(14)10-17/h5-10,13,20H,4,11-12H2,1-3H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine?
1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine has a molecular weight of 347.30 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 81267340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).