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

C22H22FN3 — CID 95809145

IUPAC2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
SMILESFc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1
InChIInChI=1S/C22H22FN3/c23-20-7-2-1-6-19(20)22-9-3-8-21(25-22)18-5-4-14-26(16-18)15-17-10-12-24-13-11-17/h1-3,6-13,18H,4-5,14-16H2/t18-/m0/s1
InChIKeySEDZGKUARVGQTB-SFHVURJKSA-N
MW347.44 g/mol
LogP4.66
Rot. Bonds4

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

2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine (PubChem CID 95809145) has the molecular formula C22H22FN3 and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
PubChem CID95809145
Molecular FormulaC22H22FN3
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC Name2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
SMILESFc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1
InChIInChI=1S/C22H22FN3/c23-20-7-2-1-6-19(20)22-9-3-8-21(25-22)18-5-4-14-26(16-18)15-17-10-12-24-13-11-17/h1-3,6-13,18H,4-5,14-16H2/t18-/m0/s1
InChIKeySEDZGKUARVGQTB-SFHVURJKSA-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-(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-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809146
2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258535
2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249315
2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809141
2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249365
2-[(3-fluorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249363
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
2-(2-fluorophenyl)-3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrazine
CID 110254812
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The IUPAC name of 2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine (CID 95809145) is 2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The canonical SMILES for 2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine is Fc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The InChIKey is SEDZGKUARVGQTB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22FN3/c23-20-7-2-1-6-19(20)22-9-3-8-21(25-22)18-5-4-14-26(16-18)15-17-10-12-24-13-11-17/h1-3,6-13,18H,4-5,14-16H2/t18-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
2-(2-fluorophenyl)-6-[(3S)-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-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 95809145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).