8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane

C22H27NO2 — CID 91000717

IUPAC8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(C(CCN2CCC3(CC2)OCCO3)c2ccccc2)cc1
InChIInChI=1S/C22H27NO2/c1-3-7-19(8-4-1)21(20-9-5-2-6-10-20)11-14-23-15-12-22(13-16-23)24-17-18-25-22/h1-10,21H,11-18H2
InChIKeyXCQGSOQHMKMUOO-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.05
Rot. Bonds5

About 8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 91000717) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID91000717
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(C(CCN2CCC3(CC2)OCCO3)c2ccccc2)cc1
InChIInChI=1S/C22H27NO2/c1-3-7-19(8-4-1)21(20-9-5-2-6-10-20)11-14-23-15-12-22(13-16-23)24-17-18-25-22/h1-10,21H,11-18H2
InChIKeyXCQGSOQHMKMUOO-UHFFFAOYSA-N
XLogP4.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

AJ-190/13485012
CID 899309
4-Benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine
CID 127027494
4-Benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine
CID 127028726
morpholine, N-(3,3-diphenyl)propyl-
CID 201145
1,4-Dioxa-8-azaspiro(4,5)decane, 6-methyl-8-(1-phenylcyclohexyl)-, hydrobromide
CID 58201
1-Methyl-1-{[2-(1-phenylethyl)-1,3-dioxolan-4-YL]methyl}piperidin-1-ium
CID 4583714
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3,3-diphenylpropan-1-one
CID 32303961
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
8-[4,4-Bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69024312
1-{[2-(1-Phenylethyl)-1,3-dioxolan-4-yl]methyl}piperidine
CID 3621729
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone
CID 35436362
8-(2,2-Diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74242620

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 91000717) is 8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(C(CCN2CCC3(CC2)OCCO3)c2ccccc2)cc1.
What is the InChIKey of 8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is XCQGSOQHMKMUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-7-19(8-4-1)21(20-9-5-2-6-10-20)11-14-23-15-12-22(13-16-23)24-17-18-25-22/h1-10,21H,11-18H2.
What are the key properties of 8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 337.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-diphenylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 91000717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).