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

C10H18N2O2 — CID 65351452

IUPAC1,4-dioxan-2-yl(piperidin-1-yl)methanimine
SMILES[H]/N=C(/C1COCCO1)N1CCCCC1
InChIInChI=1S/C10H18N2O2/c11-10(9-8-13-6-7-14-9)12-4-2-1-3-5-12/h9,11H,1-8H2/b11-10-
InChIKeyYTVPSLSYXMACHC-KHPPLWFESA-N
MW198.27 g/mol
LogP0.86
Rot. Bonds1

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

1,4-dioxan-2-yl(piperidin-1-yl)methanimine (PubChem CID 65351452) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,4-dioxan-2-yl(piperidin-1-yl)methanimine.

Molecular Properties

Compound Name1,4-dioxan-2-yl(piperidin-1-yl)methanimine
PubChem CID65351452
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1,4-dioxan-2-yl(piperidin-1-yl)methanimine
SMILES[H]/N=C(/C1COCCO1)N1CCCCC1
InChIInChI=1S/C10H18N2O2/c11-10(9-8-13-6-7-14-9)12-4-2-1-3-5-12/h9,11H,1-8H2/b11-10-
InChIKeyYTVPSLSYXMACHC-KHPPLWFESA-N
XLogP0.86
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.86
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

1-(1,4-Dioxan-2-ylmethyl)pyrrolidin-2-imine
CID 61024989
1-(1,4-Dioxan-2-ylmethyl)piperidin-2-imine
CID 61522959
1-(3-Morpholin-4-ylpropyl)piperidin-2-imine
CID 61523055
1-(Oxan-2-ylmethyl)piperidin-2-imine
CID 61609540
1-[2-(2-Methoxyethoxy)ethyl]piperidin-2-imine
CID 61850245
2-Ethoxy-1-piperidin-1-ylpropan-1-imine
CID 64532831
N,N-diethyl-1,4-dioxane-2-carboximidamide
CID 65351400
1,4-Dioxan-2-yl(pyrrolidin-1-yl)methanimine
CID 65351450
1,4-Dioxan-2-yl(morpholin-4-yl)methanimine
CID 65351500
1,4-Dioxan-2-yl-(4-methylpiperazin-1-yl)methanimine
CID 65351502
1-[(4-Methylmorpholin-2-yl)methyl]piperidin-2-imine
CID 79071639
(4-Methylmorpholin-2-yl)-piperidin-1-ylmethanimine
CID 79088197

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl(piperidin-1-yl)methanimine?
The IUPAC name of 1,4-dioxan-2-yl(piperidin-1-yl)methanimine (CID 65351452) is 1,4-dioxan-2-yl(piperidin-1-yl)methanimine.
What is the SMILES notation for 1,4-dioxan-2-yl(piperidin-1-yl)methanimine?
The canonical SMILES for 1,4-dioxan-2-yl(piperidin-1-yl)methanimine is [H]/N=C(/C1COCCO1)N1CCCCC1.
What is the InChIKey of 1,4-dioxan-2-yl(piperidin-1-yl)methanimine?
The InChIKey is YTVPSLSYXMACHC-KHPPLWFESA-N. The full InChI is InChI=1S/C10H18N2O2/c11-10(9-8-13-6-7-14-9)12-4-2-1-3-5-12/h9,11H,1-8H2/b11-10-.
What are the key properties of 1,4-dioxan-2-yl(piperidin-1-yl)methanimine?
1,4-dioxan-2-yl(piperidin-1-yl)methanimine has a molecular weight of 198.27 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl(piperidin-1-yl)methanimine is sourced from PubChem (CID 65351452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).