4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine

C16H26FN3O — CID 155070839

IUPAC4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine
SMILESC=C/C(F)=C(C(=C/C)\CN1CCNCC1)/N1CCOCC1
InChIInChI=1S/C16H26FN3O/c1-3-14(13-19-7-5-18-6-8-19)16(15(17)4-2)20-9-11-21-12-10-20/h3-4,18H,2,5-13H2,1H3/b14-3-,16-15-
InChIKeyDVFBLTJSRZBWCM-YLRCWISRSA-N
MW295.40 g/mol
LogP1.54
Rot. Bonds5

About 4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine

4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine (PubChem CID 155070839) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine.

Molecular Properties

Compound Name4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine
PubChem CID155070839
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine
SMILESC=C/C(F)=C(C(=C/C)\CN1CCNCC1)/N1CCOCC1
InChIInChI=1S/C16H26FN3O/c1-3-14(13-19-7-5-18-6-8-19)16(15(17)4-2)20-9-11-21-12-10-20/h3-4,18H,2,5-13H2,1H3/b14-3-,16-15-
InChIKeyDVFBLTJSRZBWCM-YLRCWISRSA-N
XLogP1.54
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine?
The IUPAC name of 4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine (CID 155070839) is 4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine.
What is the SMILES notation for 4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine?
The canonical SMILES for 4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine is C=C/C(F)=C(C(=C/C)\CN1CCNCC1)/N1CCOCC1.
What is the InChIKey of 4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine?
The InChIKey is DVFBLTJSRZBWCM-YLRCWISRSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-3-14(13-19-7-5-18-6-8-19)16(15(17)4-2)20-9-11-21-12-10-20/h3-4,18H,2,5-13H2,1H3/b14-3-,16-15-.
What are the key properties of 4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine?
4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine has a molecular weight of 295.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine is sourced from PubChem (CID 155070839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).