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

C17H29FN2 — CID 167025868

IUPAC1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(F)/C=C(C)\C=C(\C)C(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C17H29FN2/c1-13(12-15(3)18)11-14(2)16(4)20-9-7-17(8-10-20)19(5)6/h11-12,16-17H,3,7-10H2,1-2,4-6H3/b13-12-,14-11-
InChIKeyQDMXYRGFECZULC-NIHAPQRKSA-N
MW280.43 g/mol
LogP3.78
Rot. Bonds5

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

1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 167025868) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID167025868
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(F)/C=C(C)\C=C(\C)C(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C17H29FN2/c1-13(12-15(3)18)11-14(2)16(4)20-9-7-17(8-10-20)19(5)6/h11-12,16-17H,3,7-10H2,1-2,4-6H3/b13-12-,14-11-
InChIKeyQDMXYRGFECZULC-NIHAPQRKSA-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-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine (CID 167025868) is 1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine is C=C(F)/C=C(C)\C=C(\C)C(C)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is QDMXYRGFECZULC-NIHAPQRKSA-N. The full InChI is InChI=1S/C17H29FN2/c1-13(12-15(3)18)11-14(2)16(4)20-9-7-17(8-10-20)19(5)6/h11-12,16-17H,3,7-10H2,1-2,4-6H3/b13-12-,14-11-.
What are the key properties of 1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine?
1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-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-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 167025868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).