6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]

C20H23NO3 — CID 126475482

IUPAC6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESCOc1ccc(-c2ccc3c(c2)COC2(CCN(C)CC2)O3)cc1
InChIInChI=1S/C20H23NO3/c1-21-11-9-20(10-12-21)23-14-17-13-16(5-8-19(17)24-20)15-3-6-18(22-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYKASCECTCKGGCM-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.69
Rot. Bonds2

About 6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]

6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 126475482) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID126475482
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESCOc1ccc(-c2ccc3c(c2)COC2(CCN(C)CC2)O3)cc1
InChIInChI=1S/C20H23NO3/c1-21-11-9-20(10-12-21)23-14-17-13-16(5-8-19(17)24-20)15-3-6-18(22-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYKASCECTCKGGCM-UHFFFAOYSA-N
XLogP3.69
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 126475482) is 6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine] is COc1ccc(-c2ccc3c(c2)COC2(CCN(C)CC2)O3)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is YKASCECTCKGGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21-11-9-20(10-12-21)23-14-17-13-16(5-8-19(17)24-20)15-3-6-18(22-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]?
6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 325.41 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 126475482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).