1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine

C16H26F2N2 — CID 146247180

IUPAC1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(/C(=C\C(C)=C/CF)CF)N1CCC(N(C)C)CC1
InChIInChI=1S/C16H26F2N2/c1-13(5-8-17)11-15(12-18)14(2)20-9-6-16(7-10-20)19(3)4/h5,11,16H,2,6-10,12H2,1,3-4H3/b13-5-,15-11-
InChIKeyAFJICGLKNUGOPQ-UNQYLCAISA-N
MW284.39 g/mol
LogP3.34
Rot. Bonds6

About 1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine

1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 146247180) has the molecular formula C16H26F2N2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID146247180
Molecular FormulaC16H26F2N2
Molecular Weight284.39 g/mol
Exact Mass284.21
IUPAC Name1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(/C(=C\C(C)=C/CF)CF)N1CCC(N(C)C)CC1
InChIInChI=1S/C16H26F2N2/c1-13(5-8-17)11-15(12-18)14(2)20-9-6-16(7-10-20)19(3)4/h5,11,16H,2,6-10,12H2,1,3-4H3/b13-5-,15-11-
InChIKeyAFJICGLKNUGOPQ-UNQYLCAISA-N
XLogP3.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.34
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

(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
4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine
CID 135265902
(3S)-1-[(2E,4E)-4-fluoro-6-methylhepta-2,4,6-trien-3-yl]-3-methylpiperidine
CID 142294943
(2E)-6-fluoro-2-methyl-7-piperidin-1-ylocta-2,5,7-trien-1-amine
CID 144045723
4-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2-methylidene-3H-pyrrol-1-yl]piperidin-1-amine
CID 144330645
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-[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-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 146247332

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine (CID 146247180) is 1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine is C=C(/C(=C\C(C)=C/CF)CF)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is AFJICGLKNUGOPQ-UNQYLCAISA-N. The full InChI is InChI=1S/C16H26F2N2/c1-13(5-8-17)11-15(12-18)14(2)20-9-6-16(7-10-20)19(3)4/h5,11,16H,2,6-10,12H2,1,3-4H3/b13-5-,15-11-.
What are the key properties of 1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 146247180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).