1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine

C13H22N2 — CID 129031822

IUPAC1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCCC1(C)C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C13H22N2/c1-3-13(2)6-4-12(5-7-13)15-10-8-14-9-11-15/h4-6,14H,3,7-11H2,1-2H3
InChIKeyJPXDYIYPWZVQSI-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.15
Rot. Bonds2

About 1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine

1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 129031822) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine
PubChem CID129031822
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCCC1(C)C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C13H22N2/c1-3-13(2)6-4-12(5-7-13)15-10-8-14-9-11-15/h4-6,14H,3,7-11H2,1-2H3
InChIKeyJPXDYIYPWZVQSI-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 67011254
ethane;1-(2H-pyran-4-yl)piperazine
CID 178177938
1-(1,2-dihydropyridin-4-yl)-1,4-diazepane
CID 86340381
1-[1-[(1S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-2H-pyridin-4-yl]piperazine
CID 141471704
2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 18698026
butane;2-piperazin-1-ylpyrimidine
CID 144912345
1-(1-ethylcyclopropyl)piperazine
CID 83694598
4-methyl-5-piperazin-1-yl-1,2-oxazole
CID 84765247
magnesium;1-phenylpiperazine;propane;hydrobromide
CID 173457865
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen
CID 156652390
1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine
CID 154641562

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine (CID 129031822) is 1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine is CCC1(C)C=CC(N2CCNCC2)=CC1.
What is the InChIKey of 1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is JPXDYIYPWZVQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-13(2)6-4-12(5-7-13)15-10-8-14-9-11-15/h4-6,14H,3,7-11H2,1-2H3.
What are the key properties of 1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine?
1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 206.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 129031822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).