1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine

C16H26FN3O — CID 107395114

IUPAC1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine
SMILESCOC1(C)CCCN(CC(C)C(N)c2ccc(F)cn2)C1
InChIInChI=1S/C16H26FN3O/c1-12(15(18)14-6-5-13(17)9-19-14)10-20-8-4-7-16(2,11-20)21-3/h5-6,9,12,15H,4,7-8,10-11,18H2,1-3H3
InChIKeySDUFPUQNUQKJMX-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.36
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine

1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine (PubChem CID 107395114) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine
PubChem CID107395114
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine
SMILESCOC1(C)CCCN(CC(C)C(N)c2ccc(F)cn2)C1
InChIInChI=1S/C16H26FN3O/c1-12(15(18)14-6-5-13(17)9-19-14)10-20-8-4-7-16(2,11-20)21-3/h5-6,9,12,15H,4,7-8,10-11,18H2,1-3H3
InChIKeySDUFPUQNUQKJMX-UHFFFAOYSA-N
XLogP2.36
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 112586259
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107395046
1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107522247
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine
CID 112586255
3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941117
3-(4,4-dimethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941620
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 115941386
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
3-(2,5-dimethylmorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941213
(1R)-1-[5-(3-methoxy-3-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 107393509
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164
5-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-1-amine
CID 107393262

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine (CID 107395114) is 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine is COC1(C)CCCN(CC(C)C(N)c2ccc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine?
The InChIKey is SDUFPUQNUQKJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-12(15(18)14-6-5-13(17)9-19-14)10-20-8-4-7-16(2,11-20)21-3/h5-6,9,12,15H,4,7-8,10-11,18H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine?
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 107395114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).