4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide

C11H23N3O — CID 107392930

IUPAC4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCCC(C)(OC)C1
InChIInChI=1S/C11H23N3O/c1-11(15-2)6-4-8-14(9-11)7-3-5-10(12)13/h3-9H2,1-2H3,(H3,12,13)
InChIKeyKNBYKYDPROGMSV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.20
Rot. Bonds5

About 4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide

4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide (PubChem CID 107392930) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide
PubChem CID107392930
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCCC(C)(OC)C1
InChIInChI=1S/C11H23N3O/c1-11(15-2)6-4-8-14(9-11)7-3-5-10(12)13/h3-9H2,1-2H3,(H3,12,13)
InChIKeyKNBYKYDPROGMSV-UHFFFAOYSA-N
XLogP1.20
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide 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-[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
4-(2,2-Dimethylmorpholin-4-yl)butanimidamide
CID 43592886
5-(3-Propoxypiperidin-1-yl)pentanimidamide
CID 54985353
5-(2,2-Dimethylmorpholin-4-yl)pentanimidamide
CID 61524348
2-Methyl-3-(3-propoxypiperidin-1-yl)propanimidamide
CID 61570710
3-(3-Propoxypiperidin-1-yl)propanimidamide
CID 61571198
4-(3-Propoxypiperidin-1-yl)butanimidamide
CID 61571199
3-(3-Ethoxypiperidin-1-yl)propanimidamide
CID 61573239
4-(3-Ethoxypiperidin-1-yl)butanimidamide
CID 61573240
3-(3-Ethoxypiperidin-1-yl)-2-methylpropanimidamide
CID 61573269
5-(3-Ethoxypiperidin-1-yl)pentanimidamide
CID 61573302

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide?
The IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide (CID 107392930) is 4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide.
What is the SMILES notation for 4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide?
The canonical SMILES for 4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide is [H]/N=C(\N)CCCN1CCCC(C)(OC)C1.
What is the InChIKey of 4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide?
The InChIKey is KNBYKYDPROGMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(15-2)6-4-8-14(9-11)7-3-5-10(12)13/h3-9H2,1-2H3,(H3,12,13).
What are the key properties of 4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide?
4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide is sourced from PubChem (CID 107392930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).