bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone

C35H32F4N2O — CID 54039561

IUPACbis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone
SMILESO=C(c1ccc(N2CCCCC2)cc1-c1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1-c1ccc(F)cc1F
InChIInChI=1S/C35H32F4N2O/c36-23-7-11-27(33(38)19-23)31-21-25(40-15-3-1-4-16-40)9-13-29(31)35(42)30-14-10-26(41-17-5-2-6-18-41)22-32(30)28-12-8-24(37)20-34(28)39/h7-14,19-22H,1-6,15-18H2
InChIKeyLLJPNLQQOZBDKX-UHFFFAOYSA-N
MW572.65 g/mol
LogP8.79
Rot. Bonds6

About bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone

bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone (PubChem CID 54039561) has the molecular formula C35H32F4N2O and a molecular weight of 572.65 g/mol. Its IUPAC name is bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone.

Molecular Properties

Compound Namebis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone
PubChem CID54039561
Molecular FormulaC35H32F4N2O
Molecular Weight572.65 g/mol
Exact Mass572.25
IUPAC Namebis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone
SMILESO=C(c1ccc(N2CCCCC2)cc1-c1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1-c1ccc(F)cc1F
InChIInChI=1S/C35H32F4N2O/c36-23-7-11-27(33(38)19-23)31-21-25(40-15-3-1-4-16-40)9-13-29(31)35(42)30-14-10-26(41-17-5-2-6-18-41)22-32(30)28-12-8-24(37)20-34(28)39/h7-14,19-22H,1-6,15-18H2
InChIKeyLLJPNLQQOZBDKX-UHFFFAOYSA-N
XLogP8.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.65
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepan-1-yl)-2-fluorobenzoic acid
CID 79694518
1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
CID 22482372
2-fluoro-5-pyrrolidin-1-ylbenzoic acid
CID 15372186
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942
1-(3-fluoro-4-phenylphenyl)piperidine
CID 126496888
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)ethanone
CID 2113330
N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108527766
1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 79045460
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103
N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109041838

Frequently Asked Questions

What is the IUPAC name of bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone?
The IUPAC name of bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone (CID 54039561) is bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone.
What is the SMILES notation for bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone?
The canonical SMILES for bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone is O=C(c1ccc(N2CCCCC2)cc1-c1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1-c1ccc(F)cc1F.
What is the InChIKey of bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone?
The InChIKey is LLJPNLQQOZBDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F4N2O/c36-23-7-11-27(33(38)19-23)31-21-25(40-15-3-1-4-16-40)9-13-29(31)35(42)30-14-10-26(41-17-5-2-6-18-41)22-32(30)28-12-8-24(37)20-34(28)39/h7-14,19-22H,1-6,15-18H2.
What are the key properties of bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone?
bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone has a molecular weight of 572.65 g/mol, XLogP of 8.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone is sourced from PubChem (CID 54039561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).