(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine

C17H29FN2 — CID 145287374

IUPAC(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine
SMILESC=C(C(=C/C)/C(CC)=N/C)N1CCC(C(C)(C)F)CC1
InChIInChI=1S/C17H29FN2/c1-7-15(16(8-2)19-6)13(3)20-11-9-14(10-12-20)17(4,5)18/h7,14H,3,8-12H2,1-2,4-6H3/b15-7-,19-16+
InChIKeyXIWRGBLAQSXGKT-RZQMNLBFSA-N
MW280.43 g/mol
LogP4.39
Rot. Bonds5

About (Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine

(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine (PubChem CID 145287374) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is (Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine
PubChem CID145287374
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine
SMILESC=C(C(=C/C)/C(CC)=N/C)N1CCC(C(C)(C)F)CC1
InChIInChI=1S/C17H29FN2/c1-7-15(16(8-2)19-6)13(3)20-11-9-14(10-12-20)17(4,5)18/h7,14H,3,8-12H2,1-2,4-6H3/b15-7-,19-16+
InChIKeyXIWRGBLAQSXGKT-RZQMNLBFSA-N
XLogP4.39
TPSA15.60 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 ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4,4-difluoro-1-methylpiperidine;ethane;(2Z,4E)-3-methylhexa-2,4-diene;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2,3,4-trimethylpent-1-ene
CID 143721870
(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954513
(5E)-2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954706
4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine
CID 142575265
ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene
CID 145287373
(3Z)-3-ethylidene-N-methyl-1-(3-methylpent-1-en-2-yl)piperidin-4-imine
CID 172383541
(4Z)-4-ethylidene-N-methyl-1-(3-methylhex-1-en-2-yl)piperidin-3-imine
CID 172383633
(3Z)-3-ethylidene-N-methyl-1-(3-methylhex-1-en-2-yl)piperidin-4-imine
CID 172383499

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine?
The IUPAC name of (Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine (CID 145287374) is (Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine.
What is the SMILES notation for (Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine?
The canonical SMILES for (Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine is C=C(C(=C/C)/C(CC)=N/C)N1CCC(C(C)(C)F)CC1.
What is the InChIKey of (Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine?
The InChIKey is XIWRGBLAQSXGKT-RZQMNLBFSA-N. The full InChI is InChI=1S/C17H29FN2/c1-7-15(16(8-2)19-6)13(3)20-11-9-14(10-12-20)17(4,5)18/h7,14H,3,8-12H2,1-2,4-6H3/b15-7-,19-16+.
What are the key properties of (Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine?
(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine has a molecular weight of 280.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine is sourced from PubChem (CID 145287374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).