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

C21H21FN4O — CID 56891899

IUPAC(1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](n2cc(-c3ccc(F)cc3)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C21H21FN4O/c22-15-7-5-14(6-8-15)18-13-26(25-24-18)19-16-3-1-2-4-17(16)21(20(19)27)9-11-23-12-10-21/h1-8,13,19-20,23,27H,9-12H2/t19-,20+/m1/s1
InChIKeyVDNHORZREDCCPG-UXHICEINSA-N
MW364.42 g/mol
LogP2.67
Rot. Bonds2

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

(1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56891899) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is (1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56891899
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name(1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](n2cc(-c3ccc(F)cc3)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C21H21FN4O/c22-15-7-5-14(6-8-15)18-13-26(25-24-18)19-16-3-1-2-4-17(16)21(20(19)27)9-11-23-12-10-21/h1-8,13,19-20,23,27H,9-12H2/t19-,20+/m1/s1
InChIKeyVDNHORZREDCCPG-UXHICEINSA-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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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
(1R,2R)-1-(2-pyrazin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896045
rel-(2R,3R)-3-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol hydrochloride
CID 56903714
(1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56907035
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
(1R,2R)-1-(4-pyrimidin-5-yltriazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56911561
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
4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methyl-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridazin-3-one
CID 52936988
1'-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56910455

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56891899) is (1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@H]1[C@H](n2cc(-c3ccc(F)cc3)nn2)c2ccccc2C12CCNCC2.
What is the InChIKey of (1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is VDNHORZREDCCPG-UXHICEINSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-15-7-5-14(6-8-15)18-13-26(25-24-18)19-16-3-1-2-4-17(16)21(20(19)27)9-11-23-12-10-21/h1-8,13,19-20,23,27H,9-12H2/t19-,20+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(4-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 (1R,2R)-1-[4-(4-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56891899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).