2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol

C23H26F2N4O2 — CID 71593571

IUPAC2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CN1CCC(OCc2ccccc2)CC1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H26F2N4O2/c24-19-6-7-21(22(25)12-19)23(30,15-29-17-26-16-27-29)14-28-10-8-20(9-11-28)31-13-18-4-2-1-3-5-18/h1-7,12,16-17,20,30H,8-11,13-15H2
InChIKeySSMCDZQDGVPZSD-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.13
Rot. Bonds8

About 2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 71593571) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID71593571
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CN1CCC(OCc2ccccc2)CC1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H26F2N4O2/c24-19-6-7-21(22(25)12-19)23(30,15-29-17-26-16-27-29)14-28-10-8-20(9-11-28)31-13-18-4-2-1-3-5-18/h1-7,12,16-17,20,30H,8-11,13-15H2
InChIKeySSMCDZQDGVPZSD-UHFFFAOYSA-N
XLogP3.13
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 71593571) is 2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(CN1CCC(OCc2ccccc2)CC1)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is SSMCDZQDGVPZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c24-19-6-7-21(22(25)12-19)23(30,15-29-17-26-16-27-29)14-28-10-8-20(9-11-28)31-13-18-4-2-1-3-5-18/h1-7,12,16-17,20,30H,8-11,13-15H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 428.48 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 71593571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).