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

C23H25ClF2N4O2 — CID 71593572

IUPAC1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CN1CCC(OCc2ccccc2Cl)CC1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H25ClF2N4O2/c24-21-4-2-1-3-17(21)12-32-19-7-9-29(10-8-19)13-23(31,14-30-16-27-15-28-30)20-6-5-18(25)11-22(20)26/h1-6,11,15-16,19,31H,7-10,12-14H2
InChIKeyYYQAHSCJODMXMB-UHFFFAOYSA-N
MW462.93 g/mol
LogP3.78
Rot. Bonds8

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

1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 71593572) has the molecular formula C23H25ClF2N4O2 and a molecular weight of 462.93 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID71593572
Molecular FormulaC23H25ClF2N4O2
Molecular Weight462.93 g/mol
Exact Mass462.16
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CN1CCC(OCc2ccccc2Cl)CC1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H25ClF2N4O2/c24-21-4-2-1-3-17(21)12-32-19-7-9-29(10-8-19)13-23(31,14-30-16-27-15-28-30)20-6-5-18(25)11-22(20)26/h1-6,11,15-16,19,31H,7-10,12-14H2
InChIKeyYYQAHSCJODMXMB-UHFFFAOYSA-N
XLogP3.78
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 71593572) is 1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(CN1CCC(OCc2ccccc2Cl)CC1)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is YYQAHSCJODMXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N4O2/c24-21-4-2-1-3-17(21)12-32-19-7-9-29(10-8-19)13-23(31,14-30-16-27-15-28-30)20-6-5-18(25)11-22(20)26/h1-6,11,15-16,19,31H,7-10,12-14H2.
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 462.93 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methoxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 71593572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).