1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine

C17H29FN2 — CID 167025554

IUPAC1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCC(=C/C(C)=C(\C)N1CCC(N(C)C)CC1)/C=C/CF
InChIInChI=1S/C17H29FN2/c1-14(7-6-10-18)13-15(2)16(3)20-11-8-17(9-12-20)19(4)5/h6-7,13,17H,8-12H2,1-5H3/b7-6+,14-13-,16-15+
InChIKeyAQUMMGQAAJDPFY-LQVXUESPSA-N
MW280.43 g/mol
LogP3.78
Rot. Bonds5

About 1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine

1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 167025554) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID167025554
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCC(=C/C(C)=C(\C)N1CCC(N(C)C)CC1)/C=C/CF
InChIInChI=1S/C17H29FN2/c1-14(7-6-10-18)13-15(2)16(3)20-11-8-17(9-12-20)19(4)5/h6-7,13,17H,8-12H2,1-5H3/b7-6+,14-13-,16-15+
InChIKeyAQUMMGQAAJDPFY-LQVXUESPSA-N
XLogP3.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.78
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-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine (CID 167025554) is 1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine is CC(=C/C(C)=C(\C)N1CCC(N(C)C)CC1)/C=C/CF.
What is the InChIKey of 1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is AQUMMGQAAJDPFY-LQVXUESPSA-N. The full InChI is InChI=1S/C17H29FN2/c1-14(7-6-10-18)13-15(2)16(3)20-11-8-17(9-12-20)19(4)5/h6-7,13,17H,8-12H2,1-5H3/b7-6+,14-13-,16-15+.
What are the key properties of 1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 280.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 167025554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).