(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone

C23H20F2N2O — CID 110249296

IUPAC(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2cccc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C23H20F2N2O/c24-19-10-6-16(7-11-19)21-4-1-5-22(26-21)18-3-2-14-27(15-18)23(28)17-8-12-20(25)13-9-17/h1,4-13,18H,2-3,14-15H2
InChIKeyHDGJZRHYMGDYRZ-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.05
Rot. Bonds3

About (4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone

(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110249296) has the molecular formula C23H20F2N2O and a molecular weight of 378.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110249296
Molecular FormulaC23H20F2N2O
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2cccc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C23H20F2N2O/c24-19-10-6-16(7-11-19)21-4-1-5-22(26-21)18-3-2-14-27(15-18)23(28)17-8-12-20(25)13-9-17/h1,4-13,18H,2-3,14-15H2
InChIKeyHDGJZRHYMGDYRZ-UHFFFAOYSA-N
XLogP5.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110255959
[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone
CID 95816737
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 125017299
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 95809586
[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 110075948
[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 129453909
2-(dimethylamino)-1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946413
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838773
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone (CID 110249296) is (4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCCC(c2cccc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is HDGJZRHYMGDYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O/c24-19-10-6-16(7-11-19)21-4-1-5-22(26-21)18-3-2-14-27(15-18)23(28)17-8-12-20(25)13-9-17/h1,4-13,18H,2-3,14-15H2.
What are the key properties of (4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 378.42 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110249296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).