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

C17H22N4O2 — CID 56903714

IUPAC(1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOCc1cn([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)nn1
InChIInChI=1S/C17H22N4O2/c1-23-11-12-10-21(20-19-12)15-13-4-2-3-5-14(13)17(16(15)22)6-8-18-9-7-17/h2-5,10,15-16,18,22H,6-9,11H2,1H3/t15-,16+/m1/s1
InChIKeyHJMIEOPBKREWBI-CVEARBPZSA-N
MW314.39 g/mol
LogP1.01
Rot. Bonds3

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

(1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56903714) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56903714
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOCc1cn([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)nn1
InChIInChI=1S/C17H22N4O2/c1-23-11-12-10-21(20-19-12)15-13-4-2-3-5-14(13)17(16(15)22)6-8-18-9-7-17/h2-5,10,15-16,18,22H,6-9,11H2,1H3/t15-,16+/m1/s1
InChIKeyHJMIEOPBKREWBI-CVEARBPZSA-N
XLogP1.01
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56903714) is (1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is COCc1cn([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)nn1.
What is the InChIKey of (1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is HJMIEOPBKREWBI-CVEARBPZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-11-12-10-21(20-19-12)15-13-4-2-3-5-14(13)17(16(15)22)6-8-18-9-7-17/h2-5,10,15-16,18,22H,6-9,11H2,1H3/t15-,16+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 314.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(methoxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56903714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).