2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

C23H25F3N4O2 — CID 71593616

IUPAC2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CN1CCC(OCc2ccc(F)cc2)CC1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H25F3N4O2/c24-18-3-1-17(2-4-18)12-32-20-7-9-29(10-8-20)13-23(31,14-30-16-27-15-28-30)21-6-5-19(25)11-22(21)26/h1-6,11,15-16,20,31H,7-10,12-14H2
InChIKeySNOZSKHREOQLMD-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.26
Rot. Bonds8

About 2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 71593616) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID71593616
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC Name2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CN1CCC(OCc2ccc(F)cc2)CC1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H25F3N4O2/c24-18-3-1-17(2-4-18)12-32-20-7-9-29(10-8-20)13-23(31,14-30-16-27-15-28-30)21-6-5-19(25)11-22(21)26/h1-6,11,15-16,20,31H,7-10,12-14H2
InChIKeySNOZSKHREOQLMD-UHFFFAOYSA-N
XLogP3.26
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.26
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-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 71593616) is 2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(CN1CCC(OCc2ccc(F)cc2)CC1)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is SNOZSKHREOQLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c24-18-3-1-17(2-4-18)12-32-20-7-9-29(10-8-20)13-23(31,14-30-16-27-15-28-30)21-6-5-19(25)11-22(21)26/h1-6,11,15-16,20,31H,7-10,12-14H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 446.47 g/mol, XLogP of 3.26, 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-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 71593616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).