1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine

C11H22N2O — CID 126974406

IUPAC1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCC(OC)CC1C
InChIInChI=1S/C11H22N2O/c1-8(2)11(12)13-6-5-10(14-4)7-9(13)3/h8-10,12H,5-7H2,1-4H3/b12-11+
InChIKeyOMYZXGZSPNNMOJ-VAWYXSNFSA-N
MW198.31 g/mol
LogP2.12
Rot. Bonds2

About 1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine

1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine (PubChem CID 126974406) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine
PubChem CID126974406
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCC(OC)CC1C
InChIInChI=1S/C11H22N2O/c1-8(2)11(12)13-6-5-10(14-4)7-9(13)3/h8-10,12H,5-7H2,1-4H3/b12-11+
InChIKeyOMYZXGZSPNNMOJ-VAWYXSNFSA-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

3,3,3-Trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propanimidamide
CID 114221145
1-(4-Methoxypiperidin-1-yl)ethanimine
CID 18727529
1-[4-[(2-Methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine
CID 20765497
1-[4-(Propan-2-yloxy)piperidin-1-yl]ethan-1-imine
CID 117882710
Methane;1-(4-methoxypiperidin-1-yl)ethanimine
CID 159843772
Hexane;1-methanimidoyl-4-methoxypiperidin-2-imine
CID 168894284
1-Ethanimidoyl-2,6-dimethylpiperidin-4-ol
CID 177033685
3-(4-Methoxypiperidin-1-yl)pentanimidamide
CID 43372991
3-(4-Methoxypiperidin-1-yl)-2-methylpropanimidamide
CID 43372992
3-(4-Methoxypiperidin-1-yl)butanimidamide
CID 60913510
1-(3-Methoxypropyl)piperidin-2-imine
CID 61522958
1-(3-Methoxy-2-methylpropyl)piperidin-2-imine
CID 61957456

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine?
The IUPAC name of 1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine (CID 126974406) is 1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine.
What is the SMILES notation for 1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine?
The canonical SMILES for 1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine is [H]/N=C(\C(C)C)N1CCC(OC)CC1C.
What is the InChIKey of 1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine?
The InChIKey is OMYZXGZSPNNMOJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)11(12)13-6-5-10(14-4)7-9(13)3/h8-10,12H,5-7H2,1-4H3/b12-11+.
What are the key properties of 1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine?
1-(4-methoxy-2-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-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 126974406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).