(1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C21H20F2N4O — CID 56918176

IUPAC(1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](n2cc(-c3ccc(F)cc3F)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C21H20F2N4O/c22-13-5-6-15(17(23)11-13)18-12-27(26-25-18)19-14-3-1-2-4-16(14)21(20(19)28)7-9-24-10-8-21/h1-6,11-12,19-20,24,28H,7-10H2/t19-,20+/m1/s1
InChIKeyGJDQXKXMLXYSST-UXHICEINSA-N
MW382.41 g/mol
LogP2.81
Rot. Bonds2

About (1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56918176) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is (1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56918176
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name(1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](n2cc(-c3ccc(F)cc3F)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C21H20F2N4O/c22-13-5-6-15(17(23)11-13)18-12-27(26-25-18)19-14-3-1-2-4-16(14)21(20(19)28)7-9-24-10-8-21/h1-6,11-12,19-20,24,28H,7-10H2/t19-,20+/m1/s1
InChIKeyGJDQXKXMLXYSST-UXHICEINSA-N
XLogP2.81
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56918176) is (1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@H]1[C@H](n2cc(-c3ccc(F)cc3F)nn2)c2ccccc2C12CCNCC2.
What is the InChIKey of (1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is GJDQXKXMLXYSST-UXHICEINSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-13-5-6-15(17(23)11-13)18-12-27(26-25-18)19-14-3-1-2-4-16(14)21(20(19)28)7-9-24-10-8-21/h1-6,11-12,19-20,24,28H,7-10H2/t19-,20+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 382.41 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56918176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).