2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane

C18H26N2O3 — CID 56757251

IUPAC2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1cc2c(cc1CN1CCC3(CCCNC3)C1)OCCO2
InChIInChI=1S/C18H26N2O3/c1-21-15-10-17-16(22-7-8-23-17)9-14(15)11-20-6-4-18(13-20)3-2-5-19-12-18/h9-10,19H,2-8,11-13H2,1H3
InChIKeyOJIUJJPYUOEYFM-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.04
Rot. Bonds3

About 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane

2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 56757251) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID56757251
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1cc2c(cc1CN1CCC3(CCCNC3)C1)OCCO2
InChIInChI=1S/C18H26N2O3/c1-21-15-10-17-16(22-7-8-23-17)9-14(15)11-20-6-4-18(13-20)3-2-5-19-12-18/h9-10,19H,2-8,11-13H2,1H3
InChIKeyOJIUJJPYUOEYFM-UHFFFAOYSA-N
XLogP2.04
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 56757251) is 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane is COc1cc2c(cc1CN1CCC3(CCCNC3)C1)OCCO2.
What is the InChIKey of 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is OJIUJJPYUOEYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-21-15-10-17-16(22-7-8-23-17)9-14(15)11-20-6-4-18(13-20)3-2-5-19-12-18/h9-10,19H,2-8,11-13H2,1H3.
What are the key properties of 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane?
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 318.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 56757251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).