1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine

C15H26F2N2 — CID 176922505

IUPAC1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine
SMILESC=C(/C=C(/CC(F)F)C(C)CCC)N1CCNCC1
InChIInChI=1S/C15H26F2N2/c1-4-5-12(2)14(11-15(16)17)10-13(3)19-8-6-18-7-9-19/h10,12,15,18H,3-9,11H2,1-2H3/b14-10-
InChIKeyWZYUHOJGHHFHOF-UVTDQMKNSA-N
MW272.38 g/mol
LogP3.42
Rot. Bonds7

About 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine

1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine (PubChem CID 176922505) has the molecular formula C15H26F2N2 and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine.

Molecular Properties

Compound Name1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine
PubChem CID176922505
Molecular FormulaC15H26F2N2
Molecular Weight272.38 g/mol
Exact Mass272.21
IUPAC Name1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine
SMILESC=C(/C=C(/CC(F)F)C(C)CCC)N1CCNCC1
InChIInChI=1S/C15H26F2N2/c1-4-5-12(2)14(11-15(16)17)10-13(3)19-8-6-18-7-9-19/h10,12,15,18H,3-9,11H2,1-2H3/b14-10-
InChIKeyWZYUHOJGHHFHOF-UVTDQMKNSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 142167043
1-[(3E,6E)-7-(trifluoromethyl)nona-1,3,6-trien-3-yl]piperazine
CID 142202920
4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine
CID 174047146
1-[5-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 142167044
1-[6-Methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 143486757
6-methyl-5-(trifluoromethyl)-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]cyclohexa-2,4-dien-1-amine
CID 162608079
N'-[(4S)-4-[(Z)-2-(2,2-difluoroethyl)but-2-enyl]cyclohexa-1,5-dien-1-yl]-N'-ethyl-N-methylethane-1,2-diamine
CID 163248597
1-[(3E,5Z)-6-(2,2-difluoroethyl)-7-methylnona-3,5-dien-4-yl]piperazine
CID 176921275
1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine;ethane;2-fluoropropane;methylbenzene;uranium(2+)
CID 176922504
1-[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]piperazine
CID 102091182
1-[(3E,5Z)-4-butan-2-ylhepta-1,3,5-trien-3-yl]piperazine
CID 144965156

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine?
The IUPAC name of 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine (CID 176922505) is 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine.
What is the SMILES notation for 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine?
The canonical SMILES for 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine is C=C(/C=C(/CC(F)F)C(C)CCC)N1CCNCC1.
What is the InChIKey of 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine?
The InChIKey is WZYUHOJGHHFHOF-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H26F2N2/c1-4-5-12(2)14(11-15(16)17)10-13(3)19-8-6-18-7-9-19/h10,12,15,18H,3-9,11H2,1-2H3/b14-10-.
What are the key properties of 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine?
1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine has a molecular weight of 272.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-4-(2,2-difluoroethyl)-5-methylocta-1,3-dien-2-yl]piperazine is sourced from PubChem (CID 176922505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).