N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine

C11H21N3O — CID 58333613

IUPACN-(1-methylpiperidin-4-yl)oxypiperidin-4-imine
SMILESCN1CCC(ON=C2CCNCC2)CC1
InChIInChI=1S/C11H21N3O/c1-14-8-4-11(5-9-14)15-13-10-2-6-12-7-3-10/h11-12H,2-9H2,1H3
InChIKeyJVGSZPSTLGFIRH-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.84
Rot. Bonds2

About N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine

N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine (PubChem CID 58333613) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)oxypiperidin-4-imine
PubChem CID58333613
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(1-methylpiperidin-4-yl)oxypiperidin-4-imine
SMILESCN1CCC(ON=C2CCNCC2)CC1
InChIInChI=1S/C11H21N3O/c1-14-8-4-11(5-9-14)15-13-10-2-6-12-7-3-10/h11-12H,2-9H2,1H3
InChIKeyJVGSZPSTLGFIRH-UHFFFAOYSA-N
XLogP0.84
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine?
The IUPAC name of N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine (CID 58333613) is N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine is CN1CCC(ON=C2CCNCC2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine?
The InChIKey is JVGSZPSTLGFIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14-8-4-11(5-9-14)15-13-10-2-6-12-7-3-10/h11-12H,2-9H2,1H3.
What are the key properties of N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine?
N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine has a molecular weight of 211.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)oxypiperidin-4-imine is sourced from PubChem (CID 58333613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).