(Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine

C14H23F2N3 — CID 142021201

IUPAC(Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine
SMILES[H]/N=C(/C=C\C(C)=N\[H])C(F)(F)CCC1CCN(C)CC1
InChIInChI=1S/C14H23F2N3/c1-11(17)3-4-13(18)14(15,16)8-5-12-6-9-19(2)10-7-12/h3-4,12,17-18H,5-10H2,1-2H3/b4-3-,17-11+,18-13-
InChIKeyRIYTXCSXCDJYKG-VCFUZQJISA-N
MW271.35 g/mol
LogP3.36
Rot. Bonds6

About (Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine

(Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine (PubChem CID 142021201) has the molecular formula C14H23F2N3 and a molecular weight of 271.35 g/mol. Its IUPAC name is (Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine
PubChem CID142021201
Molecular FormulaC14H23F2N3
Molecular Weight271.35 g/mol
Exact Mass271.19
IUPAC Name(Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine
SMILES[H]/N=C(/C=C\C(C)=N\[H])C(F)(F)CCC1CCN(C)CC1
InChIInChI=1S/C14H23F2N3/c1-11(17)3-4-13(18)14(15,16)8-5-12-6-9-19(2)10-7-12/h3-4,12,17-18H,5-10H2,1-2H3/b4-3-,17-11+,18-13-
InChIKeyRIYTXCSXCDJYKG-VCFUZQJISA-N
XLogP3.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine with MolForge

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Related Compounds

4-Fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine
CID 123261359
1,1,1-Trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine
CID 123932115
4-(2-piperidin-4-ylethyl)-7-(trifluoromethyl)-3,4-dihydro-2H-azepine
CID 169691681
(2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine
CID 143787887

Frequently Asked Questions

What is the IUPAC name of (Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine?
The IUPAC name of (Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine (CID 142021201) is (Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine.
What is the SMILES notation for (Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine?
The canonical SMILES for (Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine is [H]/N=C(/C=C\C(C)=N\[H])C(F)(F)CCC1CCN(C)CC1.
What is the InChIKey of (Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine?
The InChIKey is RIYTXCSXCDJYKG-VCFUZQJISA-N. The full InChI is InChI=1S/C14H23F2N3/c1-11(17)3-4-13(18)14(15,16)8-5-12-6-9-19(2)10-7-12/h3-4,12,17-18H,5-10H2,1-2H3/b4-3-,17-11+,18-13-.
What are the key properties of (Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine?
(Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine has a molecular weight of 271.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine is sourced from PubChem (CID 142021201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).