3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine

C13H23N3O — CID 79088196

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine
SMILES[H]/N=C(/C1CN2CCCC2CO1)N1CCCCC1
InChIInChI=1S/C13H23N3O/c14-13(15-6-2-1-3-7-15)12-9-16-8-4-5-11(16)10-17-12/h11-12,14H,1-10H2/b14-13-
InChIKeyQGXRGYLRTQNDPI-YPKPFQOOSA-N
MW237.35 g/mol
LogP1.31
Rot. Bonds1

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine (PubChem CID 79088196) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine
PubChem CID79088196
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine
SMILES[H]/N=C(/C1CN2CCCC2CO1)N1CCCCC1
InChIInChI=1S/C13H23N3O/c14-13(15-6-2-1-3-7-15)12-9-16-8-4-5-11(16)10-17-12/h11-12,14H,1-10H2/b14-13-
InChIKeyQGXRGYLRTQNDPI-YPKPFQOOSA-N
XLogP1.31
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carboximidamide
CID 126972516
N'-amino-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carboximidamide
CID 126972517
methyl (3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carboxylate
CID 98041438
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carbohydrazide
CID 86812194
cyclobutyl(piperidin-1-yl)methanimine
CID 64985801
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3,5-dimethylcyclohexyl)methanone
CID 79087837
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5,5,5-trifluoropentan-1-one
CID 113326855
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)hexan-1-one
CID 79087739
cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine
CID 79936177
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-methylbutan-1-one
CID 79446491
(4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine
CID 63176602
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethanol
CID 67377936

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine (CID 79088196) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine is [H]/N=C(/C1CN2CCCC2CO1)N1CCCCC1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine?
The InChIKey is QGXRGYLRTQNDPI-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H23N3O/c14-13(15-6-2-1-3-7-15)12-9-16-8-4-5-11(16)10-17-12/h11-12,14H,1-10H2/b14-13-.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine has a molecular weight of 237.35 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(piperidin-1-yl)methanimine is sourced from PubChem (CID 79088196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).