1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine

C9H16N2 — CID 15665727

IUPAC1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine
SMILESC=C/C=C/N1CCN(C)CC1
InChIInChI=1S/C9H16N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3-5H,1,6-9H2,2H3/b5-4+
InChIKeyRPMMEVJYKFQANS-SNAWJCMRSA-N
MW152.24 g/mol
LogP0.93
Rot. Bonds2

About 1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine

1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine (PubChem CID 15665727) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine
PubChem CID15665727
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine
SMILESC=C/C=C/N1CCN(C)CC1
InChIInChI=1S/C9H16N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3-5H,1,6-9H2,2H3/b5-4+
InChIKeyRPMMEVJYKFQANS-SNAWJCMRSA-N
XLogP0.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Allyl-4-methylpiperazine
CID 12654562
1,4-Dipropenylpiperazine
CID 134821216
1-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienyl]-4-methylpiperazine
CID 122521314
1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine
CID 142187247
1-[(E)-but-1-enyl]-4-methylpiperazine
CID 15156750
Piperazine, 1-ethenyl-4-ethyl-
CID 20136832
1-Ethenyl-4-propylpiperazine
CID 20136835
1-methyl-4-[(E)-prop-1-enyl]piperazine
CID 20748422
N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine
CID 21121676
1-Ethyl-4-(prop-2-en-1-yl)piperazine
CID 45099428
1-methyl-4-[(Z)-prop-1-enyl]piperazine
CID 57296904
1,4-Dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium
CID 58152801

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine?
The IUPAC name of 1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine (CID 15665727) is 1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine is C=C/C=C/N1CCN(C)CC1.
What is the InChIKey of 1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine?
The InChIKey is RPMMEVJYKFQANS-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3-5H,1,6-9H2,2H3/b5-4+.
What are the key properties of 1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine?
1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine has a molecular weight of 152.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-buta-1,3-dienyl]-4-methylpiperazine is sourced from PubChem (CID 15665727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).