7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C15H26N2O3 — CID 79931334

IUPAC7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1CCC2(CC1N1CCN3CCCC3C1)OCCO2
InChIInChI=1S/C15H26N2O3/c18-14-3-4-15(19-8-9-20-15)10-13(14)17-7-6-16-5-1-2-12(16)11-17/h12-14,18H,1-11H2
InChIKeyLHWTWYGCTHXVLX-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.42
Rot. Bonds1

About 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 79931334) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID79931334
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1CCC2(CC1N1CCN3CCCC3C1)OCCO2
InChIInChI=1S/C15H26N2O3/c18-14-3-4-15(19-8-9-20-15)10-13(14)17-7-6-16-5-1-2-12(16)11-17/h12-14,18H,1-11H2
InChIKeyLHWTWYGCTHXVLX-UHFFFAOYSA-N
XLogP0.42
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S,8S)-7-pyrrolidin-1-yl-1,4-dioxaspiro[4.5]decan-8-ol
CID 15177770
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol
CID 79942978
7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 63164876
7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79183815
7-(3-methoxy-3-methylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 107394567
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol
CID 63151120
7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 62230991
7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 62204879
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 86594080
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
CID 126846526
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 114762640
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2-dimethylcyclopentan-1-ol
CID 79935392

Frequently Asked Questions

What is the IUPAC name of 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 79931334) is 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1CCC2(CC1N1CCN3CCCC3C1)OCCO2.
What is the InChIKey of 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is LHWTWYGCTHXVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14-3-4-15(19-8-9-20-15)10-13(14)17-7-6-16-5-1-2-12(16)11-17/h12-14,18H,1-11H2.
What are the key properties of 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 282.38 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 79931334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).