N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine

C15H24FN3O — CID 105389234

IUPACN-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(N2CCC(OCC)CC2)c1F
InChIInChI=1S/C15H24FN3O/c1-3-17-11-12-5-8-18-15(14(12)16)19-9-6-13(7-10-19)20-4-2/h5,8,13,17H,3-4,6-7,9-11H2,1-2H3
InChIKeyCHGRAFCYMUEUOF-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.34
Rot. Bonds6

About N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine

N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine (PubChem CID 105389234) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
PubChem CID105389234
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC NameN-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(N2CCC(OCC)CC2)c1F
InChIInChI=1S/C15H24FN3O/c1-3-17-11-12-5-8-18-15(14(12)16)19-9-6-13(7-10-19)20-4-2/h5,8,13,17H,3-4,6-7,9-11H2,1-2H3
InChIKeyCHGRAFCYMUEUOF-UHFFFAOYSA-N
XLogP2.34
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)-3-fluoropyridine
CID 105383508
N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
CID 105388738
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62282809
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389675
1-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 105390071
N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 105390053
N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 105390723
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 107459593
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62282985
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105389678
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105385843

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine (CID 105389234) is N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(N2CCC(OCC)CC2)c1F.
What is the InChIKey of N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
The InChIKey is CHGRAFCYMUEUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-3-17-11-12-5-8-18-15(14(12)16)19-9-6-13(7-10-19)20-4-2/h5,8,13,17H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine?
N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine has a molecular weight of 281.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105389234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).