1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine

C16H24F4N2 — CID 162613692

IUPAC1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(/C(=C(/F)C=C(C)C)N1CCC(N(C)C)CC1)C(F)(F)F
InChIInChI=1S/C16H24F4N2/c1-11(2)10-14(17)15(12(3)16(18,19)20)22-8-6-13(7-9-22)21(4)5/h10,13H,3,6-9H2,1-2,4-5H3/b15-14-
InChIKeyJNKXCDHROBZWRM-PFONDFGASA-N
MW320.37 g/mol
LogP4.28
Rot. Bonds4

About 1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine

1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 162613692) has the molecular formula C16H24F4N2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID162613692
Molecular FormulaC16H24F4N2
Molecular Weight320.37 g/mol
Exact Mass320.19
IUPAC Name1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(/C(=C(/F)C=C(C)C)N1CCC(N(C)C)CC1)C(F)(F)F
InChIInChI=1S/C16H24F4N2/c1-11(2)10-14(17)15(12(3)16(18,19)20)22-8-6-13(7-9-22)21(4)5/h10,13H,3,6-9H2,1-2,4-5H3/b15-14-
InChIKeyJNKXCDHROBZWRM-PFONDFGASA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine (CID 162613692) is 1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine is C=C(/C(=C(/F)C=C(C)C)N1CCC(N(C)C)CC1)C(F)(F)F.
What is the InChIKey of 1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is JNKXCDHROBZWRM-PFONDFGASA-N. The full InChI is InChI=1S/C16H24F4N2/c1-11(2)10-14(17)15(12(3)16(18,19)20)22-8-6-13(7-9-22)21(4)5/h10,13H,3,6-9H2,1-2,4-5H3/b15-14-.
What are the key properties of 1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine?
1-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-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-[(3Z)-4-fluoro-6-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 162613692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).