1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine

C11H20N2 — CID 15665728

IUPAC1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine
SMILESC/C=C/C(C)=C/N1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-4-5-11(2)10-13-8-6-12(3)7-9-13/h4-5,10H,6-9H2,1-3H3/b5-4+,11-10+
InChIKeyAJBPEIOSORDDRS-PMXBNEBOSA-N
MW180.29 g/mol
LogP1.71
Rot. Bonds2

About 1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine

1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine (PubChem CID 15665728) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine
PubChem CID15665728
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine
SMILESC/C=C/C(C)=C/N1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-4-5-11(2)10-13-8-6-12(3)7-9-13/h4-5,10H,6-9H2,1-3H3/b5-4+,11-10+
InChIKeyAJBPEIOSORDDRS-PMXBNEBOSA-N
XLogP1.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.71
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-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine
CID 142350904
1-[(E,2E)-2-ethylidene-4-fluorohex-3-enyl]-4-methylpiperazine
CID 144191887
1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine
CID 166462619
1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine
CID 170709309
1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine
CID 10107412
1-(Cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine
CID 70264180
1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine
CID 88909240
1-methyl-4-[(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]piperazine
CID 89832478
1-methyl-4-[(1E)-4-methylpenta-1,3-dienyl]piperazine
CID 117605409
1-ethyl-4-[(1E)-4-methylpenta-1,3-dienyl]piperazine
CID 117605449
1,4-bis[(1E)-4-methylpenta-1,3-dienyl]piperazine
CID 117620993

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine?
The IUPAC name of 1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine (CID 15665728) is 1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine?
The canonical SMILES for 1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine is C/C=C/C(C)=C/N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine?
The InChIKey is AJBPEIOSORDDRS-PMXBNEBOSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-11(2)10-13-8-6-12(3)7-9-13/h4-5,10H,6-9H2,1-3H3/b5-4+,11-10+.
What are the key properties of 1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine?
1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine has a molecular weight of 180.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine is sourced from PubChem (CID 15665728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).