2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine

C22H22FN3 — CID 95809146

IUPAC2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
SMILESFc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1
InChIInChI=1S/C22H22FN3/c23-20-6-1-4-18(14-20)21-7-2-8-22(25-21)19-5-3-13-26(16-19)15-17-9-11-24-12-10-17/h1-2,4,6-12,14,19H,3,5,13,15-16H2/t19-/m1/s1
InChIKeyDAKRJXSWRPNPIO-LJQANCHMSA-N
MW347.44 g/mol
LogP4.66
Rot. Bonds4

About 2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine

2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine (PubChem CID 95809146) has the molecular formula C22H22FN3 and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
PubChem CID95809146
Molecular FormulaC22H22FN3
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC Name2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
SMILESFc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1
InChIInChI=1S/C22H22FN3/c23-20-6-1-4-18(14-20)21-7-2-8-22(25-21)19-5-3-13-26(16-19)15-17-9-11-24-12-10-17/h1-2,4,6-12,14,19H,3,5,13,15-16H2/t19-/m1/s1
InChIKeyDAKRJXSWRPNPIO-LJQANCHMSA-N
XLogP4.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809141
2-[(3-fluorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249363
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769
2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809145
2-(2-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809144
2-(2-methoxyphenyl)-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249357
2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421
2-[3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 110249388
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
2-[(3-fluorophenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809203
6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 92607004
[4-[6-(1-benzylpiperidin-3-yl)-2-pyridinyl]phenyl]methanol
CID 110249251

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The IUPAC name of 2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine (CID 95809146) is 2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The canonical SMILES for 2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine is Fc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The InChIKey is DAKRJXSWRPNPIO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22FN3/c23-20-6-1-4-18(14-20)21-7-2-8-22(25-21)19-5-3-13-26(16-19)15-17-9-11-24-12-10-17/h1-2,4,6-12,14,19H,3,5,13,15-16H2/t19-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine has a molecular weight of 347.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 95809146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).