3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol

C20H25NO3 — CID 59570721

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol
SMILESOC(CCN1CCC2(CC1)OCCO2)c1ccc2ccccc2c1
InChIInChI=1S/C20H25NO3/c22-19(18-6-5-16-3-1-2-4-17(16)15-18)7-10-21-11-8-20(9-12-21)23-13-14-24-20/h1-6,15,19,22H,7-14H2
InChIKeyQECLLSXAIAZCPT-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.10
Rot. Bonds4

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol (PubChem CID 59570721) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol
PubChem CID59570721
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol
SMILESOC(CCN1CCC2(CC1)OCCO2)c1ccc2ccccc2c1
InChIInChI=1S/C20H25NO3/c22-19(18-6-5-16-3-1-2-4-17(16)15-18)7-10-21-11-8-20(9-12-21)23-13-14-24-20/h1-6,15,19,22H,7-14H2
InChIKeyQECLLSXAIAZCPT-UHFFFAOYSA-N
XLogP3.10
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol (CID 59570721) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol is OC(CCN1CCC2(CC1)OCCO2)c1ccc2ccccc2c1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is QECLLSXAIAZCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c22-19(18-6-5-16-3-1-2-4-17(16)15-18)7-10-21-11-8-20(9-12-21)23-13-14-24-20/h1-6,15,19,22H,7-14H2.
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 327.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 59570721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).