1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine

C16H24F4N2 — CID 146247332

IUPAC1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESC/C=C(C)\C=C(C(=C/F)/N1CCC(N(C)C)CC1)\C(F)(F)F
InChIInChI=1S/C16H24F4N2/c1-5-12(2)10-14(16(18,19)20)15(11-17)22-8-6-13(7-9-22)21(3)4/h5,10-11,13H,6-9H2,1-4H3/b12-5-,14-10+,15-11-
InChIKeyMECCHWURCWOOFA-SINALDSUSA-N
MW320.37 g/mol
LogP4.28
Rot. Bonds4

About 1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine

1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 146247332) has the molecular formula C16H24F4N2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID146247332
Molecular FormulaC16H24F4N2
Molecular Weight320.37 g/mol
Exact Mass320.19
IUPAC Name1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESC/C=C(C)\C=C(C(=C/F)/N1CCC(N(C)C)CC1)\C(F)(F)F
InChIInChI=1S/C16H24F4N2/c1-5-12(2)10-14(16(18,19)20)15(11-17)22-8-6-13(7-9-22)21(3)4/h5,10-11,13H,6-9H2,1-4H3/b12-5-,14-10+,15-11-
InChIKeyMECCHWURCWOOFA-SINALDSUSA-N
XLogP4.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine with MolForge

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Related Compounds

(2E,4Z)-4-[(4,4-difluoropiperidin-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905164
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine
CID 135218442
1-[(1E,3E)-4-piperidin-1-yl-1-[(E)-4,4,4-trifluorobut-2-enyl]-3-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-1,3-dienyl]piperidine
CID 143980345
(1E,5Z,7Z)-8-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-1,5,7-trien-1-amine
CID 144251579
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-N,1-dimethylpiperidin-4-amine
CID 144962869
1-[(3E,5Z)-7-fluoro-5,6-dimethylocta-3,5,7-trien-3-yl]piperidine
CID 144983831
1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 146247180
1-[2-fluoro-4-methyl-7-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine
CID 146247321
1-[2-fluoro-4-methyl-6-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]-N,N-dimethylpiperidin-4-amine
CID 146247331
1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine
CID 166834486
1-[2-fluoro-5-methyl-7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine
CID 167025322

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine (CID 146247332) is 1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine is C/C=C(C)\C=C(C(=C/F)/N1CCC(N(C)C)CC1)\C(F)(F)F.
What is the InChIKey of 1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is MECCHWURCWOOFA-SINALDSUSA-N. The full InChI is InChI=1S/C16H24F4N2/c1-5-12(2)10-14(16(18,19)20)15(11-17)22-8-6-13(7-9-22)21(3)4/h5,10-11,13H,6-9H2,1-4H3/b12-5-,14-10+,15-11-.
What are the key properties of 1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 320.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 146247332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).