2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine

C22H22FN3 — CID 124995760

IUPAC2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine
SMILESFc1cccc(-c2ccc([C@H]3CCCCN3Cc3cccnc3)cn2)c1
InChIInChI=1S/C22H22FN3/c23-20-7-3-6-18(13-20)21-10-9-19(15-25-21)22-8-1-2-12-26(22)16-17-5-4-11-24-14-17/h3-7,9-11,13-15,22H,1-2,8,12,16H2/t22-/m1/s1
InChIKeyQOKAAFXODXGXMO-JOCHJYFZSA-N
MW347.44 g/mol
LogP5.01
Rot. Bonds4

About 2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine

2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine (PubChem CID 124995760) has the molecular formula C22H22FN3 and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine
PubChem CID124995760
Molecular FormulaC22H22FN3
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC Name2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine
SMILESFc1cccc(-c2ccc([C@H]3CCCCN3Cc3cccnc3)cn2)c1
InChIInChI=1S/C22H22FN3/c23-20-7-3-6-18(13-20)21-10-9-19(15-25-21)22-8-1-2-12-26(22)16-17-5-4-11-24-14-17/h3-7,9-11,13-15,22H,1-2,8,12,16H2/t22-/m1/s1
InChIKeyQOKAAFXODXGXMO-JOCHJYFZSA-N
XLogP5.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125009925
[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125002811
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 77085482
N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
CID 95851085
N-(3-fluorophenyl)-6-pyridin-4-yl-2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
CID 110243877
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 124961135
2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95895040
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine
CID 110099535
5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
CID 110225930

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine?
The IUPAC name of 2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine (CID 124995760) is 2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine?
The canonical SMILES for 2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine is Fc1cccc(-c2ccc([C@H]3CCCCN3Cc3cccnc3)cn2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine?
The InChIKey is QOKAAFXODXGXMO-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22FN3/c23-20-7-3-6-18(13-20)21-10-9-19(15-25-21)22-8-1-2-12-26(22)16-17-5-4-11-24-14-17/h3-7,9-11,13-15,22H,1-2,8,12,16H2/t22-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine?
2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine has a molecular weight of 347.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine is sourced from PubChem (CID 124995760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).