2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine

C22H25FN4 — CID 95810617

IUPAC2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine
SMILESCCn1ccnc1CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C22H25FN4/c1-2-27-14-12-24-22(27)16-26-13-4-5-18(15-26)21-7-3-6-20(25-21)17-8-10-19(23)11-9-17/h3,6-12,14,18H,2,4-5,13,15-16H2,1H3/t18-/m0/s1
InChIKeyKNFNMJSITWRIPX-SFHVURJKSA-N
MW364.47 g/mol
LogP4.48
Rot. Bonds5

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

2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine (PubChem CID 95810617) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine
PubChem CID95810617
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine
SMILESCCn1ccnc1CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C22H25FN4/c1-2-27-14-12-24-22(27)16-26-13-4-5-18(15-26)21-7-3-6-20(25-21)17-8-10-19(23)11-9-17/h3,6-12,14,18H,2,4-5,13,15-16H2,1H3/t18-/m0/s1
InChIKeyKNFNMJSITWRIPX-SFHVURJKSA-N
XLogP4.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 95810615
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(2-methoxyphenoxy)pyrazine
CID 95823426
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine
CID 95819373
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 95809586
2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809146
2-(dimethylamino)-1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946413

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine?
The IUPAC name of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine (CID 95810617) is 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine.
What is the SMILES notation for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine?
The canonical SMILES for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine is CCn1ccnc1CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine?
The InChIKey is KNFNMJSITWRIPX-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25FN4/c1-2-27-14-12-24-22(27)16-26-13-4-5-18(15-26)21-7-3-6-20(25-21)17-8-10-19(23)11-9-17/h3,6-12,14,18H,2,4-5,13,15-16H2,1H3/t18-/m0/s1.
What are the key properties of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine?
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine has a molecular weight of 364.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine is sourced from PubChem (CID 95810617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).