(2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine

C16H26F2N2 — CID 143787887

IUPAC(2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine
SMILES[H]/N=C(C(\C)=C(/F)C/C=C(/F)CC)/C1CCN(CC)CC1
InChIInChI=1S/C16H26F2N2/c1-4-14(17)6-7-15(18)12(3)16(19)13-8-10-20(5-2)11-9-13/h6,13,19H,4-5,7-11H2,1-3H3/b14-6+,15-12-,19-16+
InChIKeyJOUKSYLCTHQRPK-JUERWAEWSA-N
MW284.39 g/mol
LogP4.64
Rot. Bonds6

About (2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine

(2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine (PubChem CID 143787887) has the molecular formula C16H26F2N2 and a molecular weight of 284.39 g/mol. Its IUPAC name is (2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine.

Molecular Properties

Compound Name(2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine
PubChem CID143787887
Molecular FormulaC16H26F2N2
Molecular Weight284.39 g/mol
Exact Mass284.21
IUPAC Name(2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine
SMILES[H]/N=C(C(\C)=C(/F)C/C=C(/F)CC)/C1CCN(CC)CC1
InChIInChI=1S/C16H26F2N2/c1-4-14(17)6-7-15(18)12(3)16(19)13-8-10-20(5-2)11-9-13/h6,13,19H,4-5,7-11H2,1-3H3/b14-6+,15-12-,19-16+
InChIKeyJOUKSYLCTHQRPK-JUERWAEWSA-N
XLogP4.64
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine with MolForge

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Related Compounds

4-Fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine
CID 123261359
5-(1-Fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
CID 123277706
4-Methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine
CID 166552486
(Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine
CID 142021201
(E)-4-piperidin-3-ylpent-3-en-2-imine
CID 123503371
N,2-dimethyl-10-(4-propylpiperidin-1-yl)dec-2-en-4-imine
CID 168196730

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine?
The IUPAC name of (2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine (CID 143787887) is (2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine.
What is the SMILES notation for (2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine?
The canonical SMILES for (2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine is [H]/N=C(C(\C)=C(/F)C/C=C(/F)CC)/C1CCN(CC)CC1.
What is the InChIKey of (2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine?
The InChIKey is JOUKSYLCTHQRPK-JUERWAEWSA-N. The full InChI is InChI=1S/C16H26F2N2/c1-4-14(17)6-7-15(18)12(3)16(19)13-8-10-20(5-2)11-9-13/h6,13,19H,4-5,7-11H2,1-3H3/b14-6+,15-12-,19-16+.
What are the key properties of (2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine?
(2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine has a molecular weight of 284.39 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine is sourced from PubChem (CID 143787887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).