1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine

C11H17FN2 — CID 143054402

IUPAC1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
SMILESC=C(F)/C=C\C(=C)N1CCN(C)CC1
InChIInChI=1S/C11H17FN2/c1-10(12)4-5-11(2)14-8-6-13(3)7-9-14/h4-5H,1-2,6-9H2,3H3/b5-4-
InChIKeyMPAWDLMJQOKZKL-PLNGDYQASA-N
MW196.27 g/mol
LogP1.79
Rot. Bonds3

About 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine

1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine (PubChem CID 143054402) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
PubChem CID143054402
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
SMILESC=C(F)/C=C\C(=C)N1CCN(C)CC1
InChIInChI=1S/C11H17FN2/c1-10(12)4-5-11(2)14-8-6-13(3)7-9-14/h4-5H,1-2,6-9H2,3H3/b5-4-
InChIKeyMPAWDLMJQOKZKL-PLNGDYQASA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.79
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-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienyl]-4-methylpiperazine
CID 122521314
1-(3-Fluorobuta-1,3-dien-2-yl)-4-methylpiperazine
CID 123346502
1-(4-Fluorohexa-2,4-dien-3-yl)piperazine
CID 123849712
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
CID 142067409
1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine
CID 142099569
1-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142099573
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582
N'-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099602
N'-[(3E)-4,5-difluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099608
N'-[(3E)-3,5-difluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099623

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine (CID 143054402) is 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine is C=C(F)/C=C\C(=C)N1CCN(C)CC1.
What is the InChIKey of 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The InChIKey is MPAWDLMJQOKZKL-PLNGDYQASA-N. The full InChI is InChI=1S/C11H17FN2/c1-10(12)4-5-11(2)14-8-6-13(3)7-9-14/h4-5H,1-2,6-9H2,3H3/b5-4-.
What are the key properties of 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine?
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine has a molecular weight of 196.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine is sourced from PubChem (CID 143054402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).