N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine

C17H28FN3 — CID 105388871

IUPACN-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(N2CC(C)CC(C)C2)c1F
InChIInChI=1S/C17H28FN3/c1-12(2)8-19-9-15-5-6-20-17(16(15)18)21-10-13(3)7-14(4)11-21/h5-6,12-14,19H,7-11H2,1-4H3
InChIKeySJHFFQULZOHPKU-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.45
Rot. Bonds5

About N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105388871) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105388871
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(N2CC(C)CC(C)C2)c1F
InChIInChI=1S/C17H28FN3/c1-12(2)8-19-9-15-5-6-20-17(16(15)18)21-10-13(3)7-14(4)11-21/h5-6,12-14,19H,7-11H2,1-4H3
InChIKeySJHFFQULZOHPKU-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388870
N-[[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388788
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105390466
N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072754
N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105389986
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388710
N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390520
N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105390663
N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105390385
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105388871) is N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccnc(N2CC(C)CC(C)C2)c1F.
What is the InChIKey of N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is SJHFFQULZOHPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-12(2)8-19-9-15-5-6-20-17(16(15)18)21-10-13(3)7-14(4)11-21/h5-6,12-14,19H,7-11H2,1-4H3.
What are the key properties of N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105388871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).