1,4-dimethylpiperazine;ethane;ethylbenzene

C16H30N2 — CID 90922002

IUPAC1,4-dimethylpiperazine;ethane;ethylbenzene
SMILESCC.CCc1ccccc1.CN1CCN(C)CC1
InChIInChI=1S/C8H10.C6H14N2.C2H6/c1-2-8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-2/h3-7H,2H2,1H3;3-6H2,1-2H3;1-2H3
InChIKeyMKZMFFVCIQJLGT-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.14
Rot. Bonds1

About 1,4-dimethylpiperazine;ethane;ethylbenzene

1,4-dimethylpiperazine;ethane;ethylbenzene (PubChem CID 90922002) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;ethane;ethylbenzene.

Molecular Properties

Compound Name1,4-dimethylpiperazine;ethane;ethylbenzene
PubChem CID90922002
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1,4-dimethylpiperazine;ethane;ethylbenzene
SMILESCC.CCc1ccccc1.CN1CCN(C)CC1
InChIInChI=1S/C8H10.C6H14N2.C2H6/c1-2-8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-2/h3-7H,2H2,1H3;3-6H2,1-2H3;1-2H3
InChIKeyMKZMFFVCIQJLGT-UHFFFAOYSA-N
XLogP3.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Diphemanil
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1-Phenethylpiperazine
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1-(3-Phenylpropyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;ethane;ethylbenzene?
The IUPAC name of 1,4-dimethylpiperazine;ethane;ethylbenzene (CID 90922002) is 1,4-dimethylpiperazine;ethane;ethylbenzene.
What is the SMILES notation for 1,4-dimethylpiperazine;ethane;ethylbenzene?
The canonical SMILES for 1,4-dimethylpiperazine;ethane;ethylbenzene is CC.CCc1ccccc1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;ethane;ethylbenzene?
The InChIKey is MKZMFFVCIQJLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H14N2.C2H6/c1-2-8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-2/h3-7H,2H2,1H3;3-6H2,1-2H3;1-2H3.
What are the key properties of 1,4-dimethylpiperazine;ethane;ethylbenzene?
1,4-dimethylpiperazine;ethane;ethylbenzene has a molecular weight of 250.43 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;ethane;ethylbenzene is sourced from PubChem (CID 90922002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).