3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride

C11H18Cl2FN3 — CID 162422902

IUPAC3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride
SMILESCl.Cl.Fc1cccnc1NCC1CCNCC1
InChIInChI=1S/C11H16FN3.2ClH/c12-10-2-1-5-14-11(10)15-8-9-3-6-13-7-4-9;;/h1-2,5,9,13H,3-4,6-8H2,(H,14,15);2*1H
InChIKeyMGJBVJALFSYZRT-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.48
Rot. Bonds3

About 3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride

3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride (PubChem CID 162422902) has the molecular formula C11H18Cl2FN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride
PubChem CID162422902
Molecular FormulaC11H18Cl2FN3
Molecular Weight282.19 g/mol
Exact Mass281.09
IUPAC Name3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride
SMILESCl.Cl.Fc1cccnc1NCC1CCNCC1
InChIInChI=1S/C11H16FN3.2ClH/c12-10-2-1-5-14-11(10)15-8-9-3-6-13-7-4-9;;/h1-2,5,9,13H,3-4,6-8H2,(H,14,15);2*1H
InChIKeyMGJBVJALFSYZRT-UHFFFAOYSA-N
XLogP2.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride?
The IUPAC name of 3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride (CID 162422902) is 3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride.
What is the SMILES notation for 3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride?
The canonical SMILES for 3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride is Cl.Cl.Fc1cccnc1NCC1CCNCC1.
What is the InChIKey of 3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride?
The InChIKey is MGJBVJALFSYZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3.2ClH/c12-10-2-1-5-14-11(10)15-8-9-3-6-13-7-4-9;;/h1-2,5,9,13H,3-4,6-8H2,(H,14,15);2*1H.
What are the key properties of 3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride?
3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride has a molecular weight of 282.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 162422902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).