1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine

C11H22N2O — CID 178004292

IUPAC1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(C(C)C)C(OC)C1
InChIInChI=1S/C11H22N2O/c1-8(2)10-5-6-13(9(3)12)7-11(10)14-4/h8,10-12H,5-7H2,1-4H3/b12-9+
InChIKeyFJAHIAYJUUXNSD-FMIVXFBMSA-N
MW198.31 g/mol
LogP1.98
Rot. Bonds2

About 1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine

1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine (PubChem CID 178004292) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine
PubChem CID178004292
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(C(C)C)C(OC)C1
InChIInChI=1S/C11H22N2O/c1-8(2)10-5-6-13(9(3)12)7-11(10)14-4/h8,10-12H,5-7H2,1-4H3/b12-9+
InChIKeyFJAHIAYJUUXNSD-FMIVXFBMSA-N
XLogP1.98
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.98
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-(Methoxymethyl)piperidin-1-yl]ethanimine
CID 17797489
2-Methoxy-1-(4-methylpiperidin-1-yl)ethanimine
CID 138749658
1-[(2S,6R)-2,6-di(propan-2-yl)morpholin-4-yl]ethanimine
CID 157924692
1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine
CID 166718405
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
Cyclopentyl-(2-ethylmorpholin-4-yl)methanimine
CID 63175729
Cyclohexyl-(2-ethylmorpholin-4-yl)methanimine
CID 63175730
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine?
The IUPAC name of 1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine (CID 178004292) is 1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine.
What is the SMILES notation for 1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine?
The canonical SMILES for 1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine is [H]/N=C(\C)N1CCC(C(C)C)C(OC)C1.
What is the InChIKey of 1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine?
The InChIKey is FJAHIAYJUUXNSD-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)10-5-6-13(9(3)12)7-11(10)14-4/h8,10-12H,5-7H2,1-4H3/b12-9+.
What are the key properties of 1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine?
1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine has a molecular weight of 198.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine is sourced from PubChem (CID 178004292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).