5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide

C12H25N3O — CID 107392918

IUPAC5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCCC(C)(OC)C1
InChIInChI=1S/C12H25N3O/c1-12(16-2)7-5-9-15(10-12)8-4-3-6-11(13)14/h3-10H2,1-2H3,(H3,13,14)
InChIKeyLCFVIBNAFHYYGO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.59
Rot. Bonds6

About 5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide

5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide (PubChem CID 107392918) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide
PubChem CID107392918
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCCC(C)(OC)C1
InChIInChI=1S/C12H25N3O/c1-12(16-2)7-5-9-15(10-12)8-4-3-6-11(13)14/h3-10H2,1-2H3,(H3,13,14)
InChIKeyLCFVIBNAFHYYGO-UHFFFAOYSA-N
XLogP1.59
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
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 5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide?
The IUPAC name of 5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide (CID 107392918) is 5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide.
What is the SMILES notation for 5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide?
The canonical SMILES for 5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide is [H]/N=C(\N)CCCCN1CCCC(C)(OC)C1.
What is the InChIKey of 5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide?
The InChIKey is LCFVIBNAFHYYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(16-2)7-5-9-15(10-12)8-4-3-6-11(13)14/h3-10H2,1-2H3,(H3,13,14).
What are the key properties of 5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide?
5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-3-methylpiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 107392918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).