6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

C15H21NO3 — CID 21423163

IUPAC6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1cc2c(cc1OC)C1(CCNCC1)OCC2
InChIInChI=1S/C15H21NO3/c1-17-13-9-11-3-8-19-15(4-6-16-7-5-15)12(11)10-14(13)18-2/h9-10,16H,3-8H2,1-2H3
InChIKeyXHNGYJYMMUOQKL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.86
Rot. Bonds2

About 6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 21423163) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID21423163
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1cc2c(cc1OC)C1(CCNCC1)OCC2
InChIInChI=1S/C15H21NO3/c1-17-13-9-11-3-8-19-15(4-6-16-7-5-15)12(11)10-14(13)18-2/h9-10,16H,3-8H2,1-2H3
InChIKeyXHNGYJYMMUOQKL-UHFFFAOYSA-N
XLogP1.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 21423163) is 6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] is COc1cc2c(cc1OC)C1(CCNCC1)OCC2.
What is the InChIKey of 6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is XHNGYJYMMUOQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-13-9-11-3-8-19-15(4-6-16-7-5-15)12(11)10-14(13)18-2/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 263.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 21423163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).