methane;1-(4-methoxypiperidin-1-yl)ethanimine

C9H20N2O — CID 159843772

IUPACmethane;1-(4-methoxypiperidin-1-yl)ethanimine
SMILESC.[H]/N=C(\C)N1CCC(OC)CC1
InChIInChI=1S/C8H16N2O.CH4/c1-7(9)10-5-3-8(11-2)4-6-10;/h8-9H,3-6H2,1-2H3;1H4/b9-7+;
InChIKeyNPAJFFZNLYBMHQ-BXTVWIJMSA-N
MW172.27 g/mol
LogP1.73
Rot. Bonds1

About methane;1-(4-methoxypiperidin-1-yl)ethanimine

methane;1-(4-methoxypiperidin-1-yl)ethanimine (PubChem CID 159843772) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is methane;1-(4-methoxypiperidin-1-yl)ethanimine.

Molecular Properties

Compound Namemethane;1-(4-methoxypiperidin-1-yl)ethanimine
PubChem CID159843772
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Namemethane;1-(4-methoxypiperidin-1-yl)ethanimine
SMILESC.[H]/N=C(\C)N1CCC(OC)CC1
InChIInChI=1S/C8H16N2O.CH4/c1-7(9)10-5-3-8(11-2)4-6-10;/h8-9H,3-6H2,1-2H3;1H4/b9-7+;
InChIKeyNPAJFFZNLYBMHQ-BXTVWIJMSA-N
XLogP1.73
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.73
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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Frequently Asked Questions

What is the IUPAC name of methane;1-(4-methoxypiperidin-1-yl)ethanimine?
The IUPAC name of methane;1-(4-methoxypiperidin-1-yl)ethanimine (CID 159843772) is methane;1-(4-methoxypiperidin-1-yl)ethanimine.
What is the SMILES notation for methane;1-(4-methoxypiperidin-1-yl)ethanimine?
The canonical SMILES for methane;1-(4-methoxypiperidin-1-yl)ethanimine is C.[H]/N=C(\C)N1CCC(OC)CC1.
What is the InChIKey of methane;1-(4-methoxypiperidin-1-yl)ethanimine?
The InChIKey is NPAJFFZNLYBMHQ-BXTVWIJMSA-N. The full InChI is InChI=1S/C8H16N2O.CH4/c1-7(9)10-5-3-8(11-2)4-6-10;/h8-9H,3-6H2,1-2H3;1H4/b9-7+;.
What are the key properties of methane;1-(4-methoxypiperidin-1-yl)ethanimine?
methane;1-(4-methoxypiperidin-1-yl)ethanimine has a molecular weight of 172.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(4-methoxypiperidin-1-yl)ethanimine is sourced from PubChem (CID 159843772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).