2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline

C13H19N3 — CID 143780957

IUPAC2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline
SMILES[H]/N=C/c1cc(C2CCN(C)CC2)ccc1N
InChIInChI=1S/C13H19N3/c1-16-6-4-10(5-7-16)11-2-3-13(15)12(8-11)9-14/h2-3,8-10,14H,4-7,15H2,1H3/b14-9+
InChIKeyFSFMXTFISAMYER-NTEUORMPSA-N
MW217.32 g/mol
LogP2.08
Rot. Bonds2

About 2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline

2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline (PubChem CID 143780957) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline.

Molecular Properties

Compound Name2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline
PubChem CID143780957
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline
SMILES[H]/N=C/c1cc(C2CCN(C)CC2)ccc1N
InChIInChI=1S/C13H19N3/c1-16-6-4-10(5-7-16)11-2-3-13(15)12(8-11)9-14/h2-3,8-10,14H,4-7,15H2,1H3/b14-9+
InChIKeyFSFMXTFISAMYER-NTEUORMPSA-N
XLogP2.08
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline?
The IUPAC name of 2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline (CID 143780957) is 2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline.
What is the SMILES notation for 2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline?
The canonical SMILES for 2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline is [H]/N=C/c1cc(C2CCN(C)CC2)ccc1N.
What is the InChIKey of 2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline?
The InChIKey is FSFMXTFISAMYER-NTEUORMPSA-N. The full InChI is InChI=1S/C13H19N3/c1-16-6-4-10(5-7-16)11-2-3-13(15)12(8-11)9-14/h2-3,8-10,14H,4-7,15H2,1H3/b14-9+.
What are the key properties of 2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline?
2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline has a molecular weight of 217.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-(1-methylpiperidin-4-yl)aniline is sourced from PubChem (CID 143780957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).