2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide

C14H22N4O — CID 107392905

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)ccnc1N1CCCC(C)(OC)C1
InChIInChI=1S/C14H22N4O/c1-10-5-7-17-13(11(10)12(15)16)18-8-4-6-14(2,9-18)19-3/h5,7H,4,6,8-9H2,1-3H3,(H3,15,16)
InChIKeyJIMMYTLHVKGDPT-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.68
Rot. Bonds3

About 2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide

2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide (PubChem CID 107392905) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide
PubChem CID107392905
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)ccnc1N1CCCC(C)(OC)C1
InChIInChI=1S/C14H22N4O/c1-10-5-7-17-13(11(10)12(15)16)18-8-4-6-14(2,9-18)19-3/h5,7H,4,6,8-9H2,1-3H3,(H3,15,16)
InChIKeyJIMMYTLHVKGDPT-UHFFFAOYSA-N
XLogP1.68
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide (CID 107392905) is 2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)ccnc1N1CCCC(C)(OC)C1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide?
The InChIKey is JIMMYTLHVKGDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-5-7-17-13(11(10)12(15)16)18-8-4-6-14(2,9-18)19-3/h5,7H,4,6,8-9H2,1-3H3,(H3,15,16).
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide?
2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridine-3-carboximidamide is sourced from PubChem (CID 107392905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).