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

C24H22F2N2O — CID 57218525

IUPAC(4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C24H22F2N2O/c25-21-5-1-18(2-6-21)23-15-17(9-12-27-23)16-28-13-10-20(11-14-28)24(29)19-3-7-22(26)8-4-19/h1-9,12,15,20H,10-11,13-14,16H2
InChIKeyNVPGETHKDMJWQT-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.12
Rot. Bonds5

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

(4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone (PubChem CID 57218525) has the molecular formula C24H22F2N2O and a molecular weight of 392.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone
PubChem CID57218525
Molecular FormulaC24H22F2N2O
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name(4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C24H22F2N2O/c25-21-5-1-18(2-6-21)23-15-17(9-12-27-23)16-28-13-10-20(11-14-28)24(29)19-3-7-22(26)8-4-19/h1-9,12,15,20H,10-11,13-14,16H2
InChIKeyNVPGETHKDMJWQT-UHFFFAOYSA-N
XLogP5.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone (CID 57218525) is (4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone?
The InChIKey is NVPGETHKDMJWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O/c25-21-5-1-18(2-6-21)23-15-17(9-12-27-23)16-28-13-10-20(11-14-28)24(29)19-3-7-22(26)8-4-19/h1-9,12,15,20H,10-11,13-14,16H2.
What are the key properties of (4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone has a molecular weight of 392.45 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 57218525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).