1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine

C11H22N2O — CID 20765497

IUPAC1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-9(12)13-7-5-10(6-8-13)14-11(2,3)4/h10,12H,5-8H2,1-4H3/b12-9+
InChIKeyQWRNKIOXFXIGNB-FMIVXFBMSA-N
MW198.31 g/mol
LogP2.26
Rot. Bonds1

About 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine

1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine (PubChem CID 20765497) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine
PubChem CID20765497
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-9(12)13-7-5-10(6-8-13)14-11(2,3)4/h10,12H,5-8H2,1-4H3/b12-9+
InChIKeyQWRNKIOXFXIGNB-FMIVXFBMSA-N
XLogP2.26
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-Methoxypiperidin-1-yl)ethanimine
CID 18727529
4-Ethoxypiperidine-1-carboximidamide
CID 57301153
1-[4-(Propan-2-yloxy)piperidin-1-yl]ethan-1-imine
CID 117882710
Methane;1-(4-methoxypiperidin-1-yl)ethanimine
CID 159843772
Hexane;1-methanimidoyl-4-methoxypiperidin-2-imine
CID 168894284
4-(4-Ethoxy-2-iminopiperidin-1-yl)butan-1-amine
CID 174831682
2-(4-Ethoxy-2-iminopiperidin-1-yl)ethanamine
CID 175380973
3-(4-Methoxypiperidin-1-yl)-2-methylpropanimidamide
CID 43372992
4-(4-Methoxypiperidin-1-yl)butanimidamide
CID 43372995
3-(4-Methoxypiperidin-1-yl)propanimidamide
CID 43372996
2-(4-Methoxypiperidin-1-yl)ethanimidamide
CID 43372997
2-(4-Ethoxypiperidin-1-yl)ethanimidamide
CID 61219377

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine?
The IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine (CID 20765497) is 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine.
What is the SMILES notation for 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine?
The canonical SMILES for 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine is [H]/N=C(\C)N1CCC(OC(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine?
The InChIKey is QWRNKIOXFXIGNB-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(12)13-7-5-10(6-8-13)14-11(2,3)4/h10,12H,5-8H2,1-4H3/b12-9+.
What are the key properties of 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine?
1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine has a molecular weight of 198.31 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine is sourced from PubChem (CID 20765497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).