1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine

C12H24N2O — CID 107395823

IUPAC1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(/N1CCCC(C)(OC)C1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-11(2,3)10(13)14-8-6-7-12(4,9-14)15-5/h13H,6-9H2,1-5H3/b13-10+
InChIKeyDCJDOABGQQXAKS-JLHYYAGUSA-N
MW212.34 g/mol
LogP2.51
Rot. Bonds1

About 1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine

1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine (PubChem CID 107395823) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine
PubChem CID107395823
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(/N1CCCC(C)(OC)C1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-11(2,3)10(13)14-8-6-7-12(4,9-14)15-5/h13H,6-9H2,1-5H3/b13-10+
InChIKeyDCJDOABGQQXAKS-JLHYYAGUSA-N
XLogP2.51
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.51
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
2-Methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine
CID 63177370
2,2-Dimethyl-1-(3-propoxypiperidin-1-yl)propan-1-imine
CID 63177372
1-(3-Ethoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 63177724
1-(3-Ethoxypiperidin-1-yl)-2,2-dimethylpropan-1-imine
CID 63177726
2,2-Dimethyl-4-(3-propoxypiperidin-1-yl)butanimidamide
CID 65252286
4-(3-Ethoxypiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 65252337
2,2-Dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide
CID 65258325
5-(3-Ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 65258373
2,2-Dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanimidamide
CID 65258624
5-(2,2-Dimethylmorpholin-4-yl)-2,2-dimethylpentanimidamide
CID 65259110

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine?
The IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine (CID 107395823) is 1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine is [H]/N=C(/N1CCCC(C)(OC)C1)C(C)(C)C.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine?
The InChIKey is DCJDOABGQQXAKS-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,3)10(13)14-8-6-7-12(4,9-14)15-5/h13H,6-9H2,1-5H3/b13-10+.
What are the key properties of 1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine?
1-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine has a molecular weight of 212.34 g/mol, XLogP of 2.51, 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)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 107395823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).