1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine

C11H22N2O — CID 107395820

IUPAC1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCCC(C)(OC)C1
InChIInChI=1S/C11H22N2O/c1-9(2)10(12)13-7-5-6-11(3,8-13)14-4/h9,12H,5-8H2,1-4H3/b12-10+
InChIKeyGSSBURMMWDOMIP-ZRDIBKRKSA-N
MW198.31 g/mol
LogP2.12
Rot. Bonds2

About 1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine

1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine (PubChem CID 107395820) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine
PubChem CID107395820
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCCC(C)(OC)C1
InChIInChI=1S/C11H22N2O/c1-9(2)10(12)13-7-5-6-11(3,8-13)14-4/h9,12H,5-8H2,1-4H3/b12-10+
InChIKeyGSSBURMMWDOMIP-ZRDIBKRKSA-N
XLogP2.12
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 ≤ 52.12
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
3,3,3-Trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 107392944
2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate
CID 143250970
1-(3-Methoxy-4-propan-2-ylpiperidin-1-yl)ethanimine
CID 178004292
1-[2-(3-Methylbutoxy)ethyl]piperidin-2-imine
CID 61882571
Cyclopentyl-(2,2-dimethylmorpholin-4-yl)methanimine
CID 63176106
Cyclohexyl-(2,2-dimethylmorpholin-4-yl)methanimine
CID 63176164
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
Cyclopropyl-(3-propoxypiperidin-1-yl)methanimine
CID 63177371
2,2-Dimethyl-1-(3-propoxypiperidin-1-yl)propan-1-imine
CID 63177372

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine?
The IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine (CID 107395820) is 1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine is [H]/N=C(\C(C)C)N1CCCC(C)(OC)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine?
The InChIKey is GSSBURMMWDOMIP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)10(12)13-7-5-6-11(3,8-13)14-4/h9,12H,5-8H2,1-4H3/b12-10+.
What are the key properties of 1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine?
1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine has a molecular weight of 198.31 g/mol, XLogP of 2.12, 2 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)-2-methylpropan-1-imine is sourced from PubChem (CID 107395820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).