5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide

C12H18N4O — CID 144934608

IUPAC5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide
SMILESCOc1ccc(/C(N)=N/C2CCNCC2)nc1
InChIInChI=1S/C12H18N4O/c1-17-10-2-3-11(15-8-10)12(13)16-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H2,13,16)
InChIKeyFTLCNWDXAMJBOK-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.55
Rot. Bonds3

About 5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide

5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide (PubChem CID 144934608) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide.

Molecular Properties

Compound Name5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide
PubChem CID144934608
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide
SMILESCOc1ccc(/C(N)=N/C2CCNCC2)nc1
InChIInChI=1S/C12H18N4O/c1-17-10-2-3-11(15-8-10)12(13)16-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H2,13,16)
InChIKeyFTLCNWDXAMJBOK-UHFFFAOYSA-N
XLogP0.55
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.55
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 5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide?
The IUPAC name of 5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide (CID 144934608) is 5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide.
What is the SMILES notation for 5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide?
The canonical SMILES for 5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide is COc1ccc(/C(N)=N/C2CCNCC2)nc1.
What is the InChIKey of 5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide?
The InChIKey is FTLCNWDXAMJBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-17-10-2-3-11(15-8-10)12(13)16-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H2,13,16).
What are the key properties of 5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide?
5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide is sourced from PubChem (CID 144934608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).