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

C16H20N4O2 — CID 56907035

IUPAC(1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESOCc1cn([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)nn1
InChIInChI=1S/C16H20N4O2/c21-10-11-9-20(19-18-11)14-12-3-1-2-4-13(12)16(15(14)22)5-7-17-8-6-16/h1-4,9,14-15,17,21-22H,5-8,10H2/t14-,15+/m1/s1
InChIKeyURGWNVLSEIRRPM-CABCVRRESA-N
MW300.36 g/mol
LogP0.36
Rot. Bonds2

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

(1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56907035) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56907035
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESOCc1cn([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)nn1
InChIInChI=1S/C16H20N4O2/c21-10-11-9-20(19-18-11)14-12-3-1-2-4-13(12)16(15(14)22)5-7-17-8-6-16/h1-4,9,14-15,17,21-22H,5-8,10H2/t14-,15+/m1/s1
InChIKeyURGWNVLSEIRRPM-CABCVRRESA-N
XLogP0.36
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56907035) is (1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is OCc1cn([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)nn1.
What is the InChIKey of (1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is URGWNVLSEIRRPM-CABCVRRESA-N. The full InChI is InChI=1S/C16H20N4O2/c21-10-11-9-20(19-18-11)14-12-3-1-2-4-13(12)16(15(14)22)5-7-17-8-6-16/h1-4,9,14-15,17,21-22H,5-8,10H2/t14-,15+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 300.36 g/mol, XLogP of 0.36, 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-(hydroxymethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56907035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).