[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine

C13H20FN3 — CID 105389976

IUPAC[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine
SMILESCC1(C)CCCN(c2nccc(CN)c2F)C1
InChIInChI=1S/C13H20FN3/c1-13(2)5-3-7-17(9-13)12-11(14)10(8-15)4-6-16-12/h4,6H,3,5,7-9,15H2,1-2H3
InChIKeyCKIFGKZMFAMWNA-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.31
Rot. Bonds2

About [2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine

[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine (PubChem CID 105389976) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is [2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine
PubChem CID105389976
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine
SMILESCC1(C)CCCN(c2nccc(CN)c2F)C1
InChIInChI=1S/C13H20FN3/c1-13(2)5-3-7-17(9-13)12-11(14)10(8-15)4-6-16-12/h4,6H,3,5,7-9,15H2,1-2H3
InChIKeyCKIFGKZMFAMWNA-UHFFFAOYSA-N
XLogP2.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine?
The IUPAC name of [2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine (CID 105389976) is [2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine is CC1(C)CCCN(c2nccc(CN)c2F)C1.
What is the InChIKey of [2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine?
The InChIKey is CKIFGKZMFAMWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-13(2)5-3-7-17(9-13)12-11(14)10(8-15)4-6-16-12/h4,6H,3,5,7-9,15H2,1-2H3.
What are the key properties of [2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine?
[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine is sourced from PubChem (CID 105389976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).