2-methoxy-6-(piperidine-4-carboximidoyl)aniline

C13H19N3O — CID 144601088

IUPAC2-methoxy-6-(piperidine-4-carboximidoyl)aniline
SMILES[H]/N=C(/c1cccc(OC)c1N)C1CCNCC1
InChIInChI=1S/C13H19N3O/c1-17-11-4-2-3-10(13(11)15)12(14)9-5-7-16-8-6-9/h2-4,9,14,16H,5-8,15H2,1H3/b14-12+
InChIKeyYHIPZEARKRDBCV-WYMLVPIESA-N
MW233.31 g/mol
LogP1.64
Rot. Bonds3

About 2-methoxy-6-(piperidine-4-carboximidoyl)aniline

2-methoxy-6-(piperidine-4-carboximidoyl)aniline (PubChem CID 144601088) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methoxy-6-(piperidine-4-carboximidoyl)aniline.

Molecular Properties

Compound Name2-methoxy-6-(piperidine-4-carboximidoyl)aniline
PubChem CID144601088
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methoxy-6-(piperidine-4-carboximidoyl)aniline
SMILES[H]/N=C(/c1cccc(OC)c1N)C1CCNCC1
InChIInChI=1S/C13H19N3O/c1-17-11-4-2-3-10(13(11)15)12(14)9-5-7-16-8-6-9/h2-4,9,14,16H,5-8,15H2,1H3/b14-12+
InChIKeyYHIPZEARKRDBCV-WYMLVPIESA-N
XLogP1.64
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(piperidine-4-carboximidoyl)aniline?
The IUPAC name of 2-methoxy-6-(piperidine-4-carboximidoyl)aniline (CID 144601088) is 2-methoxy-6-(piperidine-4-carboximidoyl)aniline.
What is the SMILES notation for 2-methoxy-6-(piperidine-4-carboximidoyl)aniline?
The canonical SMILES for 2-methoxy-6-(piperidine-4-carboximidoyl)aniline is [H]/N=C(/c1cccc(OC)c1N)C1CCNCC1.
What is the InChIKey of 2-methoxy-6-(piperidine-4-carboximidoyl)aniline?
The InChIKey is YHIPZEARKRDBCV-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19N3O/c1-17-11-4-2-3-10(13(11)15)12(14)9-5-7-16-8-6-9/h2-4,9,14,16H,5-8,15H2,1H3/b14-12+.
What are the key properties of 2-methoxy-6-(piperidine-4-carboximidoyl)aniline?
2-methoxy-6-(piperidine-4-carboximidoyl)aniline has a molecular weight of 233.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(piperidine-4-carboximidoyl)aniline is sourced from PubChem (CID 144601088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).