1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine

C12H24N2O — CID 63977512

IUPAC1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCC(COC)CC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(13)14-7-5-10(6-8-14)9-15-4/h10,13H,5-9H2,1-4H3/b13-11-
InChIKeyDEVWVPRMWDFTOA-QBFSEMIESA-N
MW212.34 g/mol
LogP2.37
Rot. Bonds2

About 1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine

1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine (PubChem CID 63977512) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine
PubChem CID63977512
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCC(COC)CC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(13)14-7-5-10(6-8-14)9-15-4/h10,13H,5-9H2,1-4H3/b13-11-
InChIKeyDEVWVPRMWDFTOA-QBFSEMIESA-N
XLogP2.37
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.37
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'}

Analyze 1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine?
The IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine (CID 63977512) is 1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine.
What is the SMILES notation for 1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine?
The canonical SMILES for 1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine is [H]/N=C(\N1CCC(COC)CC1)C(C)(C)C.
What is the InChIKey of 1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine?
The InChIKey is DEVWVPRMWDFTOA-QBFSEMIESA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)11(13)14-7-5-10(6-8-14)9-15-4/h10,13H,5-9H2,1-4H3/b13-11-.
What are the key properties of 1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine?
1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine has a molecular weight of 212.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 63977512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).