(4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine

C12H19FN2 — CID 123991439

IUPAC(4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine
SMILESC=CC(/C=C(\C)F)=N\C1CCNCC1C
InChIInChI=1S/C12H19FN2/c1-4-11(7-10(3)13)15-12-5-6-14-8-9(12)2/h4,7,9,12,14H,1,5-6,8H2,2-3H3/b10-7+,15-11+
InChIKeyZPAOICICEJPXIP-UNRYZTPYSA-N
MW210.30 g/mol
LogP2.48
Rot. Bonds3

About (4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine

(4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine (PubChem CID 123991439) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine.

Molecular Properties

Compound Name(4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine
PubChem CID123991439
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine
SMILESC=CC(/C=C(\C)F)=N\C1CCNCC1C
InChIInChI=1S/C12H19FN2/c1-4-11(7-10(3)13)15-12-5-6-14-8-9(12)2/h4,7,9,12,14H,1,5-6,8H2,2-3H3/b10-7+,15-11+
InChIKeyZPAOICICEJPXIP-UNRYZTPYSA-N
XLogP2.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.48
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

(E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine
CID 91008841
(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine
CID 123479366
N-[(Z)-2-imino-5-methyl-4-phosphanylhex-3-enyl]piperidin-4-amine
CID 135229969
(Z)-1-piperidin-4-ylbut-2-en-1-imine
CID 162748453
(3Z)-3-ethylidene-N,5-dimethylpiperidin-4-imine
CID 143605430

Frequently Asked Questions

What is the IUPAC name of (4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine?
The IUPAC name of (4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine (CID 123991439) is (4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine.
What is the SMILES notation for (4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine?
The canonical SMILES for (4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine is C=CC(/C=C(\C)F)=N\C1CCNCC1C.
What is the InChIKey of (4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine?
The InChIKey is ZPAOICICEJPXIP-UNRYZTPYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-11(7-10(3)13)15-12-5-6-14-8-9(12)2/h4,7,9,12,14H,1,5-6,8H2,2-3H3/b10-7+,15-11+.
What are the key properties of (4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine?
(4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine has a molecular weight of 210.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine is sourced from PubChem (CID 123991439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).