3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol

C19H26F2N2O — CID 154601811

IUPAC3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol
SMILESC/C(=C\C=C\F)C(c1ccc(F)cc1)N1CCN(CCCO)CC1
InChIInChI=1S/C19H26F2N2O/c1-16(4-2-9-20)19(17-5-7-18(21)8-6-17)23-13-11-22(12-14-23)10-3-15-24/h2,4-9,19,24H,3,10-15H2,1H3/b9-2+,16-4+
InChIKeyUIXQWMXLYAQKEO-VCUIURRGSA-N
MW336.43 g/mol
LogP3.30
Rot. Bonds7

About 3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol

3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol (PubChem CID 154601811) has the molecular formula C19H26F2N2O and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol
PubChem CID154601811
Molecular FormulaC19H26F2N2O
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol
SMILESC/C(=C\C=C\F)C(c1ccc(F)cc1)N1CCN(CCCO)CC1
InChIInChI=1S/C19H26F2N2O/c1-16(4-2-9-20)19(17-5-7-18(21)8-6-17)23-13-11-22(12-14-23)10-3-15-24/h2,4-9,19,24H,3,10-15H2,1H3/b9-2+,16-4+
InChIKeyUIXQWMXLYAQKEO-VCUIURRGSA-N
XLogP3.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 95309214
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CID 110900456
(2R)-1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol (CID 154601811) is 3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol is C/C(=C\C=C\F)C(c1ccc(F)cc1)N1CCN(CCCO)CC1.
What is the InChIKey of 3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol?
The InChIKey is UIXQWMXLYAQKEO-VCUIURRGSA-N. The full InChI is InChI=1S/C19H26F2N2O/c1-16(4-2-9-20)19(17-5-7-18(21)8-6-17)23-13-11-22(12-14-23)10-3-15-24/h2,4-9,19,24H,3,10-15H2,1H3/b9-2+,16-4+.
What are the key properties of 3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol?
3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol has a molecular weight of 336.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 154601811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).