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

C18H25N5O — CID 56882897

IUPAC(1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCC(C)(N)c1cn([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)nn1
InChIInChI=1S/C18H25N5O/c1-17(2,19)14-11-23(22-21-14)15-12-5-3-4-6-13(12)18(16(15)24)7-9-20-10-8-18/h3-6,11,15-16,20,24H,7-10,19H2,1-2H3/t15-,16+/m1/s1
InChIKeyOKSLCULOLKJCIV-CVEARBPZSA-N
MW327.43 g/mol
LogP1.06
Rot. Bonds2

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

(1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56882897) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56882897
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCC(C)(N)c1cn([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)nn1
InChIInChI=1S/C18H25N5O/c1-17(2,19)14-11-23(22-21-14)15-12-5-3-4-6-13(12)18(16(15)24)7-9-20-10-8-18/h3-6,11,15-16,20,24H,7-10,19H2,1-2H3/t15-,16+/m1/s1
InChIKeyOKSLCULOLKJCIV-CVEARBPZSA-N
XLogP1.06
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
(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
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
1'-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56910455
(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(1-benzyltriazol-4-yl)methylamino]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 102435657
(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-[(1-benzyltriazol-4-yl)methylamino]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 102435658
(1R,2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31045217

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56882897) is (1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CC(C)(N)c1cn([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)nn1.
What is the InChIKey of (1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is OKSLCULOLKJCIV-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25N5O/c1-17(2,19)14-11-23(22-21-14)15-12-5-3-4-6-13(12)18(16(15)24)7-9-20-10-8-18/h3-6,11,15-16,20,24H,7-10,19H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 327.43 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(2-aminopropan-2-yl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56882897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).