1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine

C22H39FN2 — CID 143279444

IUPAC1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine
SMILESC=C/C(C)=C\C(F)=C(/C)CN1CCC(N(CCC)C(CC)CC)CC1
InChIInChI=1S/C22H39FN2/c1-7-13-25(20(9-3)10-4)21-11-14-24(15-12-21)17-19(6)22(23)16-18(5)8-2/h8,16,20-21H,2,7,9-15,17H2,1,3-6H3/b18-16-,22-19-
InChIKeyWARMZJOHCLNJTR-ZTWBIXGRSA-N
MW350.57 g/mol
LogP5.73
Rot. Bonds10

About 1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine

1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine (PubChem CID 143279444) has the molecular formula C22H39FN2 and a molecular weight of 350.57 g/mol. Its IUPAC name is 1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine
PubChem CID143279444
Molecular FormulaC22H39FN2
Molecular Weight350.57 g/mol
Exact Mass350.31
IUPAC Name1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine
SMILESC=C/C(C)=C\C(F)=C(/C)CN1CCC(N(CCC)C(CC)CC)CC1
InChIInChI=1S/C22H39FN2/c1-7-13-25(20(9-3)10-4)21-11-14-24(15-12-21)17-19(6)22(23)16-18(5)8-2/h8,16,20-21H,2,7,9-15,17H2,1,3-6H3/b18-16-,22-19-
InChIKeyWARMZJOHCLNJTR-ZTWBIXGRSA-N
XLogP5.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 55.73
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-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine?
The IUPAC name of 1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine (CID 143279444) is 1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine is C=C/C(C)=C\C(F)=C(/C)CN1CCC(N(CCC)C(CC)CC)CC1.
What is the InChIKey of 1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine?
The InChIKey is WARMZJOHCLNJTR-ZTWBIXGRSA-N. The full InChI is InChI=1S/C22H39FN2/c1-7-13-25(20(9-3)10-4)21-11-14-24(15-12-21)17-19(6)22(23)16-18(5)8-2/h8,16,20-21H,2,7,9-15,17H2,1,3-6H3/b18-16-,22-19-.
What are the key properties of 1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine?
1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine has a molecular weight of 350.57 g/mol, XLogP of 5.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-3-fluoro-2,5-dimethylhepta-2,4,6-trienyl]-N-pentan-3-yl-N-propylpiperidin-4-amine is sourced from PubChem (CID 143279444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).