(E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine

C15H25F3N2 — CID 91008841

IUPAC(E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine
SMILESCCCC(/C=C(\C(C)C)C(F)(F)F)=N\C1CCNCC1
InChIInChI=1S/C15H25F3N2/c1-4-5-13(20-12-6-8-19-9-7-12)10-14(11(2)3)15(16,17)18/h10-12,19H,4-9H2,1-3H3/b14-10+,20-13+
InChIKeyZBKHLUSVOYOYEP-HFUQFZHOSA-N
MW290.37 g/mol
LogP4.12
Rot. Bonds5

About (E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine

(E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine (PubChem CID 91008841) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine.

Molecular Properties

Compound Name(E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine
PubChem CID91008841
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name(E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine
SMILESCCCC(/C=C(\C(C)C)C(F)(F)F)=N\C1CCNCC1
InChIInChI=1S/C15H25F3N2/c1-4-5-13(20-12-6-8-19-9-7-12)10-14(11(2)3)15(16,17)18/h10-12,19H,4-9H2,1-3H3/b14-10+,20-13+
InChIKeyZBKHLUSVOYOYEP-HFUQFZHOSA-N
XLogP4.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
1,1,1-Trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine
CID 123932115
(4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine
CID 123991439
(E)-2-fluoro-1-(4-fluoropiperidin-4-yl)-N-methylpent-2-en-1-imine
CID 144037445
4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride
CID 161322609
4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine
CID 161322610
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672
(3Z)-3-(2-methylpropylidene)piperidin-4-imine
CID 175624499
(3Z)-N-methyl-3-propylidenepiperidin-4-imine
CID 177021873
(3Z)-3-ethylidene-N,5-dimethylpiperidin-4-imine
CID 143605430

Frequently Asked Questions

What is the IUPAC name of (E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine?
The IUPAC name of (E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine (CID 91008841) is (E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine.
What is the SMILES notation for (E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine?
The canonical SMILES for (E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine is CCCC(/C=C(\C(C)C)C(F)(F)F)=N\C1CCNCC1.
What is the InChIKey of (E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine?
The InChIKey is ZBKHLUSVOYOYEP-HFUQFZHOSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-4-5-13(20-12-6-8-19-9-7-12)10-14(11(2)3)15(16,17)18/h10-12,19H,4-9H2,1-3H3/b14-10+,20-13+.
What are the key properties of (E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine?
(E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine has a molecular weight of 290.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine is sourced from PubChem (CID 91008841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).