1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine

C14H20FN3 — CID 163385841

IUPAC1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine
SMILESC=Cn1cc(CC2(F)CCNCC2)cc/c1=N\C
InChIInChI=1S/C14H20FN3/c1-3-18-11-12(4-5-13(18)16-2)10-14(15)6-8-17-9-7-14/h3-5,11,17H,1,6-10H2,2H3/b16-13+
InChIKeyNUQPITICSYHKGP-DTQAZKPQSA-N
MW249.33 g/mol
LogP1.75
Rot. Bonds3

About 1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine

1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine (PubChem CID 163385841) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine.

Molecular Properties

Compound Name1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine
PubChem CID163385841
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine
SMILESC=Cn1cc(CC2(F)CCNCC2)cc/c1=N\C
InChIInChI=1S/C14H20FN3/c1-3-18-11-12(4-5-13(18)16-2)10-14(15)6-8-17-9-7-14/h3-5,11,17H,1,6-10H2,2H3/b16-13+
InChIKeyNUQPITICSYHKGP-DTQAZKPQSA-N
XLogP1.75
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-[(2E)-1-[N-but-1-en-2-yl-C-[(E)-1-fluoroprop-1-enyl]carbonimidoyl]-2-(3-methylbutylidene)-4-piperidin-4-ylpyrrol-3-ylidene]methanamine
CID 146504423
N,N-diethyl-5-(piperidin-4-yl)-3H-azepin-2-amine
CID 172418747
4-Methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123256021
1-But-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
CID 123286517
1,2,4a,5-tetrahydronaphthalene;ethane;4-methyl-N-[2-(2H-pyrido[1,2-a]pyrimidin-3-yl)ethyl]pentan-1-amine
CID 144188966

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine?
The IUPAC name of 1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine (CID 163385841) is 1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine.
What is the SMILES notation for 1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine?
The canonical SMILES for 1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine is C=Cn1cc(CC2(F)CCNCC2)cc/c1=N\C.
What is the InChIKey of 1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine?
The InChIKey is NUQPITICSYHKGP-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H20FN3/c1-3-18-11-12(4-5-13(18)16-2)10-14(15)6-8-17-9-7-14/h3-5,11,17H,1,6-10H2,2H3/b16-13+.
What are the key properties of 1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine?
1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine has a molecular weight of 249.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine is sourced from PubChem (CID 163385841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).