1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine

C9H18N2O — CID 107395819

IUPAC1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCCC(C)(OC)C1
InChIInChI=1S/C9H18N2O/c1-8(10)11-6-4-5-9(2,7-11)12-3/h10H,4-7H2,1-3H3/b10-8+
InChIKeyPXZVFLUXMAPUIO-CSKARUKUSA-N
MW170.26 g/mol
LogP1.48
Rot. Bonds1

About 1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine

1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine (PubChem CID 107395819) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine
PubChem CID107395819
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCCC(C)(OC)C1
InChIInChI=1S/C9H18N2O/c1-8(10)11-6-4-5-9(2,7-11)12-3/h10H,4-7H2,1-3H3/b10-8+
InChIKeyPXZVFLUXMAPUIO-CSKARUKUSA-N
XLogP1.48
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.48
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-[3-Methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine
CID 177326169
1-(3-Methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine
CID 178004292
1-[2-(3-Methylbutoxy)ethyl]piperidin-2-imine
CID 61882571
1-(3-Propoxypiperidin-1-yl)ethanimine
CID 63173417
1-(3-Ethoxypiperidin-1-yl)ethanimine
CID 63173420
1-(3-Propoxypiperidin-1-yl)propan-1-imine
CID 63177310
1-(3-Propoxypiperidin-1-yl)butan-1-imine
CID 63177311
2-Methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine
CID 63177370
1-(3-Ethoxypiperidin-1-yl)propan-1-imine
CID 63177668
1-(3-Ethoxypiperidin-1-yl)butan-1-imine
CID 63177669
1-(3-Ethoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 63177724
4-Methyl-1-morpholin-4-ylpentan-1-imine
CID 63179386

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine?
The IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine (CID 107395819) is 1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine is [H]/N=C(\C)N1CCCC(C)(OC)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine?
The InChIKey is PXZVFLUXMAPUIO-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(10)11-6-4-5-9(2,7-11)12-3/h10H,4-7H2,1-3H3/b10-8+.
What are the key properties of 1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine?
1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine has a molecular weight of 170.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylpiperidin-1-yl)ethanimine is sourced from PubChem (CID 107395819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).