1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine

C15H24F2N2 — CID 142099569

IUPAC1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine
SMILESC=C/C(F)=C(\C=C/C(C)F)N1CCN(CCC)CC1
InChIInChI=1S/C15H24F2N2/c1-4-8-18-9-11-19(12-10-18)15(14(17)5-2)7-6-13(3)16/h5-7,13H,2,4,8-12H2,1,3H3/b7-6-,15-14-
InChIKeyFDTNWJJBWXCJMJ-HXDWTSBLSA-N
MW270.37 g/mol
LogP3.30
Rot. Bonds6

About 1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine

1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine (PubChem CID 142099569) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine
PubChem CID142099569
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine
SMILESC=C/C(F)=C(\C=C/C(C)F)N1CCN(CCC)CC1
InChIInChI=1S/C15H24F2N2/c1-4-8-18-9-11-19(12-10-18)15(14(17)5-2)7-6-13(3)16/h5-7,13H,2,4,8-12H2,1,3H3/b7-6-,15-14-
InChIKeyFDTNWJJBWXCJMJ-HXDWTSBLSA-N
XLogP3.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
1-(4-Fluorocyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 129209135
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]piperazine
CID 130350914
1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
CID 134340833
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine?
The IUPAC name of 1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine (CID 142099569) is 1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine.
What is the SMILES notation for 1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine?
The canonical SMILES for 1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine is C=C/C(F)=C(\C=C/C(C)F)N1CCN(CCC)CC1.
What is the InChIKey of 1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine?
The InChIKey is FDTNWJJBWXCJMJ-HXDWTSBLSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-4-8-18-9-11-19(12-10-18)15(14(17)5-2)7-6-13(3)16/h5-7,13H,2,4,8-12H2,1,3H3/b7-6-,15-14-.
What are the key properties of 1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine?
1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine has a molecular weight of 270.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine is sourced from PubChem (CID 142099569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).