1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine

C12H17F2N3 — CID 112676232

IUPAC1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine
SMILESCCC1CN(c2ncc(F)cc2F)CCC1N
InChIInChI=1S/C12H17F2N3/c1-2-8-7-17(4-3-11(8)15)12-10(14)5-9(13)6-16-12/h5-6,8,11H,2-4,7,15H2,1H3
InChIKeyOCHUYWRYBYEJDL-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.92
Rot. Bonds2

About 1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine

1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine (PubChem CID 112676232) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine
PubChem CID112676232
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine
SMILESCCC1CN(c2ncc(F)cc2F)CCC1N
InChIInChI=1S/C12H17F2N3/c1-2-8-7-17(4-3-11(8)15)12-10(14)5-9(13)6-16-12/h5-6,8,11H,2-4,7,15H2,1H3
InChIKeyOCHUYWRYBYEJDL-UHFFFAOYSA-N
XLogP1.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine (CID 112676232) is 1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine is CCC1CN(c2ncc(F)cc2F)CCC1N.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine?
The InChIKey is OCHUYWRYBYEJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-2-8-7-17(4-3-11(8)15)12-10(14)5-9(13)6-16-12/h5-6,8,11H,2-4,7,15H2,1H3.
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine?
1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine has a molecular weight of 241.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine is sourced from PubChem (CID 112676232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).