1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine

C10H19N3O2 — CID 65351502

IUPAC1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\C1COCCO1)N1CCN(C)CC1
InChIInChI=1S/C10H19N3O2/c1-12-2-4-13(5-3-12)10(11)9-8-14-6-7-15-9/h9,11H,2-8H2,1H3/b11-10+
InChIKeyUQOAPOSTDGQAFM-ZHACJKMWSA-N
MW213.28 g/mol
LogP-0.37
Rot. Bonds1

About 1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine

1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine (PubChem CID 65351502) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine
PubChem CID65351502
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\C1COCCO1)N1CCN(C)CC1
InChIInChI=1S/C10H19N3O2/c1-12-2-4-13(5-3-12)10(11)9-8-14-6-7-15-9/h9,11H,2-8H2,1H3/b11-10+
InChIKeyUQOAPOSTDGQAFM-ZHACJKMWSA-N
XLogP-0.37
TPSA48.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(1,4-Dioxan-2-ylmethyl)piperidin-2-imine
CID 61522959
2-Ethoxy-1-morpholin-4-ylpropan-1-imine
CID 64532832
2-Ethoxy-1-(4-methylpiperazin-1-yl)propan-1-imine
CID 64532833
N,N-diethyl-1,4-dioxane-2-carboximidamide
CID 65351400
1,4-Dioxan-2-yl(piperidin-1-yl)methanimine
CID 65351452
1,4-Dioxan-2-yl(morpholin-4-yl)methanimine
CID 65351500
(4-Methylmorpholin-2-yl)-morpholin-4-ylmethanimine
CID 79088384
(4-Methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine
CID 79088476
2-Methoxy-1-morpholin-4-ylpropan-1-imine
CID 79605291
2-Methoxy-1-(4-methylpiperazin-1-yl)propan-1-imine
CID 79605292
Morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine
CID 79657731
(4-Methylpiperazin-1-yl)-(4-propylmorpholin-2-yl)methanimine
CID 79657808

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of 1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine (CID 65351502) is 1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for 1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for 1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine is [H]/N=C(\C1COCCO1)N1CCN(C)CC1.
What is the InChIKey of 1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is UQOAPOSTDGQAFM-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-12-2-4-13(5-3-12)10(11)9-8-14-6-7-15-9/h9,11H,2-8H2,1H3/b11-10+.
What are the key properties of 1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine?
1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 213.28 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 65351502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).