5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine

C16H25FN2 — CID 145128277

IUPAC5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
SMILESC=C(/C=C\C1=C(C)CCNC1)N1CCC(C)(F)CC1
InChIInChI=1S/C16H25FN2/c1-13-6-9-18-12-15(13)5-4-14(2)19-10-7-16(3,17)8-11-19/h4-5,18H,2,6-12H2,1,3H3/b5-4-
InChIKeyKSDDYLASWJHYDR-PLNGDYQASA-N
MW264.39 g/mol
LogP3.19
Rot. Bonds3

About 5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine

5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 145128277) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
PubChem CID145128277
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
SMILESC=C(/C=C\C1=C(C)CCNC1)N1CCC(C)(F)CC1
InChIInChI=1S/C16H25FN2/c1-13-6-9-18-12-15(13)5-4-14(2)19-10-7-16(3,17)8-11-19/h4-5,18H,2,6-12H2,1,3H3/b5-4-
InChIKeyKSDDYLASWJHYDR-PLNGDYQASA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
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 5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine (CID 145128277) is 5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine is C=C(/C=C\C1=C(C)CCNC1)N1CCC(C)(F)CC1.
What is the InChIKey of 5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is KSDDYLASWJHYDR-PLNGDYQASA-N. The full InChI is InChI=1S/C16H25FN2/c1-13-6-9-18-12-15(13)5-4-14(2)19-10-7-16(3,17)8-11-19/h4-5,18H,2,6-12H2,1,3H3/b5-4-.
What are the key properties of 5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine?
5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 264.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 145128277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).