9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane

C18H25NO3 — CID 99782597

IUPAC9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane
SMILESc1cc2c(cc1CCN1CCOC3(CCCC3)C1)OCCO2
InChIInChI=1S/C18H25NO3/c1-2-7-18(6-1)14-19(9-10-22-18)8-5-15-3-4-16-17(13-15)21-12-11-20-16/h3-4,13H,1-2,5-12,14H2
InChIKeyVXYDQPLRGRIPOD-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.65
Rot. Bonds3

About 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane

9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 99782597) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID99782597
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane
SMILESc1cc2c(cc1CCN1CCOC3(CCCC3)C1)OCCO2
InChIInChI=1S/C18H25NO3/c1-2-7-18(6-1)14-19(9-10-22-18)8-5-15-3-4-16-17(13-15)21-12-11-20-16/h3-4,13H,1-2,5-12,14H2
InChIKeyVXYDQPLRGRIPOD-UHFFFAOYSA-N
XLogP2.65
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane
CID 64940361
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione
CID 63788370
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-amine
CID 43315124
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 118724005
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1,4-diazepane
CID 64940363
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one
CID 167940830
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione
CID 79777063
7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane
CID 172620639
3-bromo-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-2-one
CID 63788049
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane (CID 99782597) is 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane is c1cc2c(cc1CCN1CCOC3(CCCC3)C1)OCCO2.
What is the InChIKey of 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is VXYDQPLRGRIPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-7-18(6-1)14-19(9-10-22-18)8-5-15-3-4-16-17(13-15)21-12-11-20-16/h3-4,13H,1-2,5-12,14H2.
What are the key properties of 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane?
9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 303.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 99782597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).