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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Related Compounds

2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine
CID 124995760
5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95837178
1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 124961135
3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine
CID 99928446
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 77085482
N-methyl-3-[[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 124965358
[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125002811
3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 92621480
1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110240512
2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983
2-[(2-methylphenyl)methyl]-5-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyridine
CID 124960780
methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62470832

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).