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

C11H22N2O — CID 130590962

IUPAC1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCC(C)(OC)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)10(12)13-7-5-11(3,14-4)6-8-13/h9,12H,5-8H2,1-4H3/b12-10+
InChIKeyNZFKMFUWXLMFGD-ZRDIBKRKSA-N
MW198.31 g/mol
LogP2.12
Rot. Bonds2

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

1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine (PubChem CID 130590962) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine
PubChem CID130590962
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCC(C)(OC)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)10(12)13-7-5-11(3,14-4)6-8-13/h9,12H,5-8H2,1-4H3/b12-10+
InChIKeyNZFKMFUWXLMFGD-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'}

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

Related Compounds

1-(2-azaspiro[4.4]nonan-2-yl)-2-methylpropan-1-imine
CID 130516539
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-imine
CID 63604813
1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine
CID 63178946
1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 102971289
cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane
CID 164564342
1,4-dimethoxy-4-methylpiperidine
CID 91124438
2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone
CID 130590982
1-but-3-en-2-yl-4-methoxy-4-methylpiperidine
CID 126988728
cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine
CID 107395818
N,N-diethyl-1-(2-methylpropanimidoyl)pyrrolidin-3-amine
CID 63181322
1-(iodomethyl)-4-methoxy-4-methylpiperidine
CID 166768367

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine?
The IUPAC name of 1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine (CID 130590962) is 1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine.
What is the SMILES notation for 1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine?
The canonical SMILES for 1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine is [H]/N=C(\C(C)C)N1CCC(C)(OC)CC1.
What is the InChIKey of 1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine?
The InChIKey is NZFKMFUWXLMFGD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)10(12)13-7-5-11(3,14-4)6-8-13/h9,12H,5-8H2,1-4H3/b12-10+.
What are the key properties of 1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-1-imine?
1-(4-methoxy-4-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-4-methylpiperidin-1-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 130590962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).