(2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C19H23NO2 — CID 95725868

IUPAC(2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1ccc(CN2CCC3(CC2)c2ccccc2C[C@H]3O)o1
InChIInChI=1S/C19H23NO2/c1-14-6-7-16(22-14)13-20-10-8-19(9-11-20)17-5-3-2-4-15(17)12-18(19)21/h2-7,18,21H,8-13H2,1H3/t18-/m1/s1
InChIKeyJNEKBFVXUPEGHA-GOSISDBHSA-N
MW297.40 g/mol
LogP3.04
Rot. Bonds2

About (2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 95725868) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID95725868
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1ccc(CN2CCC3(CC2)c2ccccc2C[C@H]3O)o1
InChIInChI=1S/C19H23NO2/c1-14-6-7-16(22-14)13-20-10-8-19(9-11-20)17-5-3-2-4-15(17)12-18(19)21/h2-7,18,21H,8-13H2,1H3/t18-/m1/s1
InChIKeyJNEKBFVXUPEGHA-GOSISDBHSA-N
XLogP3.04
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 95725868) is (2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is Cc1ccc(CN2CCC3(CC2)c2ccccc2C[C@H]3O)o1.
What is the InChIKey of (2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is JNEKBFVXUPEGHA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-6-7-16(22-14)13-20-10-8-19(9-11-20)17-5-3-2-4-15(17)12-18(19)21/h2-7,18,21H,8-13H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 297.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 95725868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).