1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine

C11H20N2O — CID 91548753

IUPAC1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine
SMILESC=CC=COCCN1CCN(C)CC1
InChIInChI=1S/C11H20N2O/c1-3-4-10-14-11-9-13-7-5-12(2)6-8-13/h3-4,10H,1,5-9,11H2,2H3
InChIKeySFMDLFFAMFCXPP-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds5

About 1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine

1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine (PubChem CID 91548753) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine
PubChem CID91548753
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine
SMILESC=CC=COCCN1CCN(C)CC1
InChIInChI=1S/C11H20N2O/c1-3-4-10-14-11-9-13-7-5-12(2)6-8-13/h3-4,10H,1,5-9,11H2,2H3
InChIKeySFMDLFFAMFCXPP-UHFFFAOYSA-N
XLogP0.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(2-ethenoxyethyl)piperazine
CID 71333748
1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine
CID 58904413
(2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine
CID 129043221
1-but-3-enyl-4-methylpiperazine
CID 20649684
2-(4-methylpiperazin-1-yl)ethyl hypoiodite
CID 139514479
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine
CID 142390319
1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
CID 143176220
1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
CID 6457262
1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine
CID 122495026
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
1-methyl-4-(2-oxidooxyperoxyethyl)piperazine
CID 58602956

Frequently Asked Questions

What is the IUPAC name of 1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine?
The IUPAC name of 1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine (CID 91548753) is 1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine is C=CC=COCCN1CCN(C)CC1.
What is the InChIKey of 1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine?
The InChIKey is SFMDLFFAMFCXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-10-14-11-9-13-7-5-12(2)6-8-13/h3-4,10H,1,5-9,11H2,2H3.
What are the key properties of 1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine?
1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine has a molecular weight of 196.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine is sourced from PubChem (CID 91548753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).