[1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C23H26F2N2O2 — CID 134801556

IUPAC[1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1)N1CCOCC1
InChIInChI=1S/C23H26F2N2O2/c24-20-6-7-21(22(25)14-20)18-4-1-3-17(13-18)15-26-8-2-5-19(16-26)23(28)27-9-11-29-12-10-27/h1,3-4,6-7,13-14,19H,2,5,8-12,15-16H2
InChIKeyVWHIFDZGSVWFJG-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.70
Rot. Bonds4

About [1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 134801556) has the molecular formula C23H26F2N2O2 and a molecular weight of 400.47 g/mol. Its IUPAC name is [1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID134801556
Molecular FormulaC23H26F2N2O2
Molecular Weight400.47 g/mol
Exact Mass400.20
IUPAC Name[1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1)N1CCOCC1
InChIInChI=1S/C23H26F2N2O2/c24-20-6-7-21(22(25)14-20)18-4-1-3-17(13-18)15-26-8-2-5-19(16-26)23(28)27-9-11-29-12-10-27/h1,3-4,6-7,13-14,19H,2,5,8-12,15-16H2
InChIKeyVWHIFDZGSVWFJG-UHFFFAOYSA-N
XLogP3.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 134801556) is [1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1)N1CCOCC1.
What is the InChIKey of [1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VWHIFDZGSVWFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O2/c24-20-6-7-21(22(25)14-20)18-4-1-3-17(13-18)15-26-8-2-5-19(16-26)23(28)27-9-11-29-12-10-27/h1,3-4,6-7,13-14,19H,2,5,8-12,15-16H2.
What are the key properties of [1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 400.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134801556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).