1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine

C10H17FN2 — CID 142187247

IUPAC1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine
SMILESC=C(F)C/C=C/N1CCN(C)CC1
InChIInChI=1S/C10H17FN2/c1-10(11)4-3-5-13-8-6-12(2)7-9-13/h3,5H,1,4,6-9H2,2H3/b5-3+
InChIKeyZPVSFWVLJASUDD-HWKANZROSA-N
MW184.26 g/mol
LogP1.62
Rot. Bonds3

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

1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine (PubChem CID 142187247) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine
PubChem CID142187247
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine
SMILESC=C(F)C/C=C/N1CCN(C)CC1
InChIInChI=1S/C10H17FN2/c1-10(11)4-3-5-13-8-6-12(2)7-9-13/h3,5H,1,4,6-9H2,2H3/b5-3+
InChIKeyZPVSFWVLJASUDD-HWKANZROSA-N
XLogP1.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dipropenylpiperazine
CID 134821216
1-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienyl]-4-methylpiperazine
CID 122521314
1-[3-(2,3-Dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
CID 139395078
1-tert-butyl-4-[(Z)-3,3-difluorobut-1-enyl]piperazine
CID 173868358
2-Fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine
CID 175198554
1-[(E)-but-1-enyl]-4-methylpiperazine
CID 15156750
1-[(1E)-1,3-butadienyl]-4-methylpiperazine
CID 15665727
1-But-3-enyl-4-methylpiperazine
CID 20649684
1-methyl-4-[(E)-prop-1-enyl]piperazine
CID 20748422
1-methyl-4-[(Z)-prop-1-enyl]piperazine
CID 57296904
1-Methyl-4-(3-methylbut-1-enyl)piperazine
CID 59952618
1-But-1-enyl-4-propan-2-ylpiperazine
CID 59978229

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine?
The IUPAC name of 1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine (CID 142187247) is 1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine is C=C(F)C/C=C/N1CCN(C)CC1.
What is the InChIKey of 1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine?
The InChIKey is ZPVSFWVLJASUDD-HWKANZROSA-N. The full InChI is InChI=1S/C10H17FN2/c1-10(11)4-3-5-13-8-6-12(2)7-9-13/h3,5H,1,4,6-9H2,2H3/b5-3+.
What are the key properties of 1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine?
1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine has a molecular weight of 184.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-4-fluoropenta-1,4-dienyl]-4-methylpiperazine is sourced from PubChem (CID 142187247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).