3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine

C23H25FN4 — CID 125009925

IUPAC3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CCCC[C@@H]1c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H25FN4/c1-25-23-19(7-5-12-26-23)16-28-13-3-2-9-22(28)18-10-11-21(27-15-18)17-6-4-8-20(24)14-17/h4-8,10-12,14-15,22H,2-3,9,13,16H2,1H3,(H,25,26)/t22-/m1/s1
InChIKeyVFVYGQPCLVQUGQ-JOCHJYFZSA-N
MW376.48 g/mol
LogP5.05
Rot. Bonds5

About 3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine

3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine (PubChem CID 125009925) has the molecular formula C23H25FN4 and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
PubChem CID125009925
Molecular FormulaC23H25FN4
Molecular Weight376.48 g/mol
Exact Mass376.21
IUPAC Name3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CCCC[C@@H]1c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H25FN4/c1-25-23-19(7-5-12-26-23)16-28-13-3-2-9-22(28)18-10-11-21(27-15-18)17-6-4-8-20(24)14-17/h4-8,10-12,14-15,22H,2-3,9,13,16H2,1H3,(H,25,26)/t22-/m1/s1
InChIKeyVFVYGQPCLVQUGQ-JOCHJYFZSA-N
XLogP5.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine (CID 125009925) is 3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine is CNc1ncccc1CN1CCCC[C@@H]1c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The InChIKey is VFVYGQPCLVQUGQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25FN4/c1-25-23-19(7-5-12-26-23)16-28-13-3-2-9-22(28)18-10-11-21(27-15-18)17-6-4-8-20(24)14-17/h4-8,10-12,14-15,22H,2-3,9,13,16H2,1H3,(H,25,26)/t22-/m1/s1.
What are the key properties of 3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine has a molecular weight of 376.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 125009925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).