N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine

C11H18FN3 — CID 176552841

IUPACN-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine
SMILESC=N/C(F)=C(\N=C)N1CCC(CC)CC1
InChIInChI=1S/C11H18FN3/c1-4-9-5-7-15(8-6-9)11(14-3)10(12)13-2/h9H,2-8H2,1H3/b11-10+
InChIKeyMPIJMOOOBHJNTB-ZHACJKMWSA-N
MW211.28 g/mol
LogP2.61
Rot. Bonds4

About N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine

N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine (PubChem CID 176552841) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine
PubChem CID176552841
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC NameN-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine
SMILESC=N/C(F)=C(\N=C)N1CCC(CC)CC1
InChIInChI=1S/C11H18FN3/c1-4-9-5-7-15(8-6-9)11(14-3)10(12)13-2/h9H,2-8H2,1H3/b11-10+
InChIKeyMPIJMOOOBHJNTB-ZHACJKMWSA-N
XLogP2.61
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine
CID 156752689
N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine
CID 176553009
N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine
CID 156711934
N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine
CID 176552543
N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
CID 176552562
fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
CID 176553028

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine?
The IUPAC name of N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine (CID 176552841) is N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine.
What is the SMILES notation for N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine?
The canonical SMILES for N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine is C=N/C(F)=C(\N=C)N1CCC(CC)CC1.
What is the InChIKey of N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine?
The InChIKey is MPIJMOOOBHJNTB-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H18FN3/c1-4-9-5-7-15(8-6-9)11(14-3)10(12)13-2/h9H,2-8H2,1H3/b11-10+.
What are the key properties of N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine?
N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine has a molecular weight of 211.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine is sourced from PubChem (CID 176552841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).