2-methanimidoyl-4-piperidin-4-ylaniline

C12H17N3 — CID 144872679

IUPAC2-methanimidoyl-4-piperidin-4-ylaniline
SMILES[H]/N=C/c1cc(C2CCNCC2)ccc1N
InChIInChI=1S/C12H17N3/c13-8-11-7-10(1-2-12(11)14)9-3-5-15-6-4-9/h1-2,7-9,13,15H,3-6,14H2/b13-8+
InChIKeyOUZYYICIGPZFQP-MDWZMJQESA-N
MW203.29 g/mol
LogP1.73
Rot. Bonds2

About 2-methanimidoyl-4-piperidin-4-ylaniline

2-methanimidoyl-4-piperidin-4-ylaniline (PubChem CID 144872679) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-methanimidoyl-4-piperidin-4-ylaniline.

Molecular Properties

Compound Name2-methanimidoyl-4-piperidin-4-ylaniline
PubChem CID144872679
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-methanimidoyl-4-piperidin-4-ylaniline
SMILES[H]/N=C/c1cc(C2CCNCC2)ccc1N
InChIInChI=1S/C12H17N3/c13-8-11-7-10(1-2-12(11)14)9-3-5-15-6-4-9/h1-2,7-9,13,15H,3-6,14H2/b13-8+
InChIKeyOUZYYICIGPZFQP-MDWZMJQESA-N
XLogP1.73
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
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-piperidin-4-ylaniline?
The IUPAC name of 2-methanimidoyl-4-piperidin-4-ylaniline (CID 144872679) is 2-methanimidoyl-4-piperidin-4-ylaniline.
What is the SMILES notation for 2-methanimidoyl-4-piperidin-4-ylaniline?
The canonical SMILES for 2-methanimidoyl-4-piperidin-4-ylaniline is [H]/N=C/c1cc(C2CCNCC2)ccc1N.
What is the InChIKey of 2-methanimidoyl-4-piperidin-4-ylaniline?
The InChIKey is OUZYYICIGPZFQP-MDWZMJQESA-N. The full InChI is InChI=1S/C12H17N3/c13-8-11-7-10(1-2-12(11)14)9-3-5-15-6-4-9/h1-2,7-9,13,15H,3-6,14H2/b13-8+.
What are the key properties of 2-methanimidoyl-4-piperidin-4-ylaniline?
2-methanimidoyl-4-piperidin-4-ylaniline has a molecular weight of 203.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-piperidin-4-ylaniline is sourced from PubChem (CID 144872679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).