1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine

C11H19FN2 — CID 174194314

IUPAC1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
SMILESC/C=C(\C=C(/C)F)N1CCN(C)CC1
InChIInChI=1S/C11H19FN2/c1-4-11(9-10(2)12)14-7-5-13(3)6-8-14/h4,9H,5-8H2,1-3H3/b10-9+,11-4+
InChIKeyDTYDZTNJKZPZRX-LFXAUOBFSA-N
MW198.28 g/mol
LogP2.01
Rot. Bonds2

About 1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine

1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine (PubChem CID 174194314) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
PubChem CID174194314
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
SMILESC/C=C(\C=C(/C)F)N1CCN(C)CC1
InChIInChI=1S/C11H19FN2/c1-4-11(9-10(2)12)14-7-5-13(3)6-8-14/h4,9H,5-8H2,1-3H3/b10-9+,11-4+
InChIKeyDTYDZTNJKZPZRX-LFXAUOBFSA-N
XLogP2.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine?
The IUPAC name of 1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine (CID 174194314) is 1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine is C/C=C(\C=C(/C)F)N1CCN(C)CC1.
What is the InChIKey of 1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine?
The InChIKey is DTYDZTNJKZPZRX-LFXAUOBFSA-N. The full InChI is InChI=1S/C11H19FN2/c1-4-11(9-10(2)12)14-7-5-13(3)6-8-14/h4,9H,5-8H2,1-3H3/b10-9+,11-4+.
What are the key properties of 1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine?
1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine has a molecular weight of 198.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine is sourced from PubChem (CID 174194314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).