(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride

C13H25Cl2N3O2 — CID 119888269

IUPAC(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride
SMILESCC1CN2CCCC2CN1C(=O)C1CC(O)CN1.Cl.Cl
InChIInChI=1S/C13H23N3O2.2ClH/c1-9-7-15-4-2-3-10(15)8-16(9)13(18)12-5-11(17)6-14-12;;/h9-12,14,17H,2-8H2,1H3;2*1H
InChIKeyHOBSNEQCHLXXCN-UHFFFAOYSA-N
MW326.27 g/mol
LogP0.25
Rot. Bonds1

About (4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride

(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride (PubChem CID 119888269) has the molecular formula C13H25Cl2N3O2 and a molecular weight of 326.27 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride
PubChem CID119888269
Molecular FormulaC13H25Cl2N3O2
Molecular Weight326.27 g/mol
Exact Mass325.13
IUPAC Name(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride
SMILESCC1CN2CCCC2CN1C(=O)C1CC(O)CN1.Cl.Cl
InChIInChI=1S/C13H23N3O2.2ClH/c1-9-7-15-4-2-3-10(15)8-16(9)13(18)12-5-11(17)6-14-12;;/h9-12,14,17H,2-8H2,1H3;2*1H
InChIKeyHOBSNEQCHLXXCN-UHFFFAOYSA-N
XLogP0.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride 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

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone
CID 79938706
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119881530
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(2R)-piperidin-2-yl]methanone
CID 113267598
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119888302
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 93375850
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-morpholin-3-ylmethanone
CID 79937946
(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119877822
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-pyrrolidin-3-ylmethanone
CID 79937868
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134574
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 102893352
(2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 62332502
2-amino-2-methyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;dihydrochloride
CID 119888242

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride?
The IUPAC name of (4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride (CID 119888269) is (4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride?
The canonical SMILES for (4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride is CC1CN2CCCC2CN1C(=O)C1CC(O)CN1.Cl.Cl.
What is the InChIKey of (4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride?
The InChIKey is HOBSNEQCHLXXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.2ClH/c1-9-7-15-4-2-3-10(15)8-16(9)13(18)12-5-11(17)6-14-12;;/h9-12,14,17H,2-8H2,1H3;2*1H.
What are the key properties of (4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride?
(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride has a molecular weight of 326.27 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 119888269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).