(3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C17H33N3O2 — CID 110211406

IUPAC(3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESC[C@H]1CN2C[C@H](O)CC2CN1CC(C)(C)CN1CCOCC1
InChIInChI=1S/C17H33N3O2/c1-14-9-19-11-16(21)8-15(19)10-20(14)13-17(2,3)12-18-4-6-22-7-5-18/h14-16,21H,4-13H2,1-3H3/t14-,15?,16+/m0/s1
InChIKeyIPSGUMILLZFERE-DLDKDUQYSA-N
MW311.47 g/mol
LogP0.48
Rot. Bonds4

About (3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 110211406) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID110211406
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESC[C@H]1CN2C[C@H](O)CC2CN1CC(C)(C)CN1CCOCC1
InChIInChI=1S/C17H33N3O2/c1-14-9-19-11-16(21)8-15(19)10-20(14)13-17(2,3)12-18-4-6-22-7-5-18/h14-16,21H,4-13H2,1-3H3/t14-,15?,16+/m0/s1
InChIKeyIPSGUMILLZFERE-DLDKDUQYSA-N
XLogP0.48
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 110211406) is (3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is C[C@H]1CN2C[C@H](O)CC2CN1CC(C)(C)CN1CCOCC1.
What is the InChIKey of (3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is IPSGUMILLZFERE-DLDKDUQYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14-9-19-11-16(21)8-15(19)10-20(14)13-17(2,3)12-18-4-6-22-7-5-18/h14-16,21H,4-13H2,1-3H3/t14-,15?,16+/m0/s1.
What are the key properties of (3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 311.47 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 110211406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).