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

C20H27N5O — CID 56915415

IUPAC(1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](n2cc(CN3CCCC3)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H27N5O/c26-19-18(25-14-15(22-23-25)13-24-11-3-4-12-24)16-5-1-2-6-17(16)20(19)7-9-21-10-8-20/h1-2,5-6,14,18-19,21,26H,3-4,7-13H2/t18-,19+/m1/s1
InChIKeyZHYRJXAEJPBYQA-MOPGFXCFSA-N
MW353.47 g/mol
LogP1.46
Rot. Bonds3

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

(1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56915415) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56915415
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](n2cc(CN3CCCC3)nn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H27N5O/c26-19-18(25-14-15(22-23-25)13-24-11-3-4-12-24)16-5-1-2-6-17(16)20(19)7-9-21-10-8-20/h1-2,5-6,14,18-19,21,26H,3-4,7-13H2/t18-,19+/m1/s1
InChIKeyZHYRJXAEJPBYQA-MOPGFXCFSA-N
XLogP1.46
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.46
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-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56915415) is (1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@H]1[C@H](n2cc(CN3CCCC3)nn2)c2ccccc2C12CCNCC2.
What is the InChIKey of (1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is ZHYRJXAEJPBYQA-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H27N5O/c26-19-18(25-14-15(22-23-25)13-24-11-3-4-12-24)16-5-1-2-6-17(16)20(19)7-9-21-10-8-20/h1-2,5-6,14,18-19,21,26H,3-4,7-13H2/t18-,19+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 353.47 g/mol, XLogP of 1.46, 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-(pyrrolidin-1-ylmethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56915415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).