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

C11H15F2N3 — CID 68582946

IUPAC[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cccnc1N1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2N3/c12-11(13)3-6-16(7-4-11)10-9(8-14)2-1-5-15-10/h1-2,5H,3-4,6-8,14H2
InChIKeyBXGNPHMCZVYAFE-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.78
Rot. Bonds2

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

[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 68582946) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is [2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine
PubChem CID68582946
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cccnc1N1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2N3/c12-11(13)3-6-16(7-4-11)10-9(8-14)2-1-5-15-10/h1-2,5H,3-4,6-8,14H2
InChIKeyBXGNPHMCZVYAFE-UHFFFAOYSA-N
XLogP1.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine (CID 68582946) is [2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine is NCc1cccnc1N1CCC(F)(F)CC1.
What is the InChIKey of [2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is BXGNPHMCZVYAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c12-11(13)3-6-16(7-4-11)10-9(8-14)2-1-5-15-10/h1-2,5H,3-4,6-8,14H2.
What are the key properties of [2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine?
[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 227.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 68582946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).