N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine

C17H28FN3 — CID 105385843

IUPACN-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCN(c2nccc(CNC(C)(C)C)c2F)CC1
InChIInChI=1S/C17H28FN3/c1-5-13-7-10-21(11-8-13)16-15(18)14(6-9-19-16)12-20-17(2,3)4/h6,9,13,20H,5,7-8,10-12H2,1-4H3
InChIKeyAZBNWJZMVFYDTK-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.74
Rot. Bonds4

About N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 105385843) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID105385843
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCN(c2nccc(CNC(C)(C)C)c2F)CC1
InChIInChI=1S/C17H28FN3/c1-5-13-7-10-21(11-8-13)16-15(18)14(6-9-19-16)12-20-17(2,3)4/h6,9,13,20H,5,7-8,10-12H2,1-4H3
InChIKeyAZBNWJZMVFYDTK-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 105385843) is N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine is CCC1CCN(c2nccc(CNC(C)(C)C)c2F)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is AZBNWJZMVFYDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-5-13-7-10-21(11-8-13)16-15(18)14(6-9-19-16)12-20-17(2,3)4/h6,9,13,20H,5,7-8,10-12H2,1-4H3.
What are the key properties of N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105385843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).