1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine

C19H30F3N3 — CID 143280108

IUPAC1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine
SMILESC/C=C(F)\C=C(F)/C(=C/F)CN1CCC(N2CCNCC2CC)CC1
InChIInChI=1S/C19H30F3N3/c1-3-16(21)11-19(22)15(12-20)14-24-8-5-18(6-9-24)25-10-7-23-13-17(25)4-2/h3,11-12,17-18,23H,4-10,13-14H2,1-2H3/b15-12+,16-3+,19-11+
InChIKeyAJXIMNKHYUUFPK-HUJCFUARSA-N
MW357.46 g/mol
LogP3.71
Rot. Bonds6

About 1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine

1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine (PubChem CID 143280108) has the molecular formula C19H30F3N3 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine.

Molecular Properties

Compound Name1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine
PubChem CID143280108
Molecular FormulaC19H30F3N3
Molecular Weight357.46 g/mol
Exact Mass357.24
IUPAC Name1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine
SMILESC/C=C(F)\C=C(F)/C(=C/F)CN1CCC(N2CCNCC2CC)CC1
InChIInChI=1S/C19H30F3N3/c1-3-16(21)11-19(22)15(12-20)14-24-8-5-18(6-9-24)25-10-7-23-13-17(25)4-2/h3,11-12,17-18,23H,4-10,13-14H2,1-2H3/b15-12+,16-3+,19-11+
InChIKeyAJXIMNKHYUUFPK-HUJCFUARSA-N
XLogP3.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine?
The IUPAC name of 1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine (CID 143280108) is 1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine.
What is the SMILES notation for 1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine?
The canonical SMILES for 1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine is C/C=C(F)\C=C(F)/C(=C/F)CN1CCC(N2CCNCC2CC)CC1.
What is the InChIKey of 1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine?
The InChIKey is AJXIMNKHYUUFPK-HUJCFUARSA-N. The full InChI is InChI=1S/C19H30F3N3/c1-3-16(21)11-19(22)15(12-20)14-24-8-5-18(6-9-24)25-10-7-23-13-17(25)4-2/h3,11-12,17-18,23H,4-10,13-14H2,1-2H3/b15-12+,16-3+,19-11+.
What are the key properties of 1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine?
1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine has a molecular weight of 357.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine is sourced from PubChem (CID 143280108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).