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

C21H21FN4O — CID 133121224

IUPAC(1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@@H]1[C@@H](n2cc(-c3ccccc3F)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C21H21FN4O/c22-17-8-4-2-6-15(17)18-13-26(25-24-18)19-14-5-1-3-7-16(14)21(20(19)27)9-11-23-12-10-21/h1-8,13,19-20,23,27H,9-12H2/t19-,20+/m0/s1
InChIKeyISKSYTBIODAPJL-VQTJNVASSA-N
MW364.42 g/mol
LogP2.67
Rot. Bonds2

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

(1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 133121224) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is (1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID133121224
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name(1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@@H]1[C@@H](n2cc(-c3ccccc3F)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C21H21FN4O/c22-17-8-4-2-6-15(17)18-13-26(25-24-18)19-14-5-1-3-7-16(14)21(20(19)27)9-11-23-12-10-21/h1-8,13,19-20,23,27H,9-12H2/t19-,20+/m0/s1
InChIKeyISKSYTBIODAPJL-VQTJNVASSA-N
XLogP2.67
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 133121224) is (1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@@H]1[C@@H](n2cc(-c3ccccc3F)nn2)c2ccccc2C12CCNCC2.
What is the InChIKey of (1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is ISKSYTBIODAPJL-VQTJNVASSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-17-8-4-2-6-15(17)18-13-26(25-24-18)19-14-5-1-3-7-16(14)21(20(19)27)9-11-23-12-10-21/h1-8,13,19-20,23,27H,9-12H2/t19-,20+/m0/s1.
What are the key properties of (1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 364.42 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 133121224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).