1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C22H24N4O — CID 56910455

IUPAC1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESOC1Cc2ccccc2C12CCN(Cc1cn(-c3ccccc3)nn1)CC2
InChIInChI=1S/C22H24N4O/c27-21-14-17-6-4-5-9-20(17)22(21)10-12-25(13-11-22)15-18-16-26(24-23-18)19-7-2-1-3-8-19/h1-9,16,21,27H,10-15H2
InChIKeyFWYUGUAGEMQENS-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.72
Rot. Bonds3

About 1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56910455) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56910455
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESOC1Cc2ccccc2C12CCN(Cc1cn(-c3ccccc3)nn1)CC2
InChIInChI=1S/C22H24N4O/c27-21-14-17-6-4-5-9-20(17)22(21)10-12-25(13-11-22)15-18-16-26(24-23-18)19-7-2-1-3-8-19/h1-9,16,21,27H,10-15H2
InChIKeyFWYUGUAGEMQENS-UHFFFAOYSA-N
XLogP2.72
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rel-(2R,3R)-3-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol dihydrochloride
CID 56915415
rel-(2R,3R)-3-[4-(1-amino-1-methylethyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol dihydrochloride
CID 56882897
(1R,2R)-1-(4-pyridin-2-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56887071
rel-(2R,3R)-3-[4-(3-pyridinyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 56887458
rel-(2R,3R)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 56907437
rel-(2R,3R)-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 56914199
rel-(2R,3R)-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 56891899
rel-(2R,3R)-3-[4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 56901846
rel-(2R,3R)-3-[4-(3,5-difluorophenyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 56908728
(1R,2R)-1-[4-(2,4-difluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56918176
(2R*,3R*)-3-[4-(3,5-difluorophenyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 133117794
(2R*,3R*)-3-[4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 133121224

Frequently Asked Questions

What is the IUPAC name of 1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of 1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56910455) is 1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for 1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for 1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is OC1Cc2ccccc2C12CCN(Cc1cn(-c3ccccc3)nn1)CC2.
What is the InChIKey of 1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is FWYUGUAGEMQENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-21-14-17-6-4-5-9-20(17)22(21)10-12-25(13-11-22)15-18-16-26(24-23-18)19-7-2-1-3-8-19/h1-9,16,21,27H,10-15H2.
What are the key properties of 1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 360.46 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-phenyltriazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56910455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).