1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine

C17H29FN2O — CID 142259030

IUPAC1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine
SMILESC/C=C(\C=C/C(OCCN1CCN(C)CC1)=C(\C)F)CC
InChIInChI=1S/C17H29FN2O/c1-5-16(6-2)7-8-17(15(3)18)21-14-13-20-11-9-19(4)10-12-20/h5,7-8H,6,9-14H2,1-4H3/b8-7-,16-5-,17-15-
InChIKeyAAZUCZZGKMJGKR-PGDKEVCSSA-N
MW296.43 g/mol
LogP3.36
Rot. Bonds7

About 1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine

1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine (PubChem CID 142259030) has the molecular formula C17H29FN2O and a molecular weight of 296.43 g/mol. Its IUPAC name is 1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine
PubChem CID142259030
Molecular FormulaC17H29FN2O
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC Name1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine
SMILESC/C=C(\C=C/C(OCCN1CCN(C)CC1)=C(\C)F)CC
InChIInChI=1S/C17H29FN2O/c1-5-16(6-2)7-8-17(15(3)18)21-14-13-20-11-9-19(4)10-12-20/h5,7-8H,6,9-14H2,1-4H3/b8-7-,16-5-,17-15-
InChIKeyAAZUCZZGKMJGKR-PGDKEVCSSA-N
XLogP3.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine (CID 142259030) is 1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine is C/C=C(\C=C/C(OCCN1CCN(C)CC1)=C(\C)F)CC.
What is the InChIKey of 1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine?
The InChIKey is AAZUCZZGKMJGKR-PGDKEVCSSA-N. The full InChI is InChI=1S/C17H29FN2O/c1-5-16(6-2)7-8-17(15(3)18)21-14-13-20-11-9-19(4)10-12-20/h5,7-8H,6,9-14H2,1-4H3/b8-7-,16-5-,17-15-.
What are the key properties of 1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine?
1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine has a molecular weight of 296.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine is sourced from PubChem (CID 142259030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).