2-methyl-3-piperazin-2-ylaniline

C11H17N3 — CID 122512540

IUPAC2-methyl-3-piperazin-2-ylaniline
SMILESCc1c(N)cccc1C1CNCCN1
InChIInChI=1S/C11H17N3/c1-8-9(3-2-4-10(8)12)11-7-13-5-6-14-11/h2-4,11,13-14H,5-7,12H2,1H3
InChIKeyULZFMVHAVXSJAR-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.81
Rot. Bonds1

About 2-methyl-3-piperazin-2-ylaniline

2-methyl-3-piperazin-2-ylaniline (PubChem CID 122512540) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-methyl-3-piperazin-2-ylaniline.

Molecular Properties

Compound Name2-methyl-3-piperazin-2-ylaniline
PubChem CID122512540
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-methyl-3-piperazin-2-ylaniline
SMILESCc1c(N)cccc1C1CNCCN1
InChIInChI=1S/C11H17N3/c1-8-9(3-2-4-10(8)12)11-7-13-5-6-14-11/h2-4,11,13-14H,5-7,12H2,1H3
InChIKeyULZFMVHAVXSJAR-UHFFFAOYSA-N
XLogP0.81
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperazin-2-ylaniline?
The IUPAC name of 2-methyl-3-piperazin-2-ylaniline (CID 122512540) is 2-methyl-3-piperazin-2-ylaniline.
What is the SMILES notation for 2-methyl-3-piperazin-2-ylaniline?
The canonical SMILES for 2-methyl-3-piperazin-2-ylaniline is Cc1c(N)cccc1C1CNCCN1.
What is the InChIKey of 2-methyl-3-piperazin-2-ylaniline?
The InChIKey is ULZFMVHAVXSJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-9(3-2-4-10(8)12)11-7-13-5-6-14-11/h2-4,11,13-14H,5-7,12H2,1H3.
What are the key properties of 2-methyl-3-piperazin-2-ylaniline?
2-methyl-3-piperazin-2-ylaniline has a molecular weight of 191.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperazin-2-ylaniline is sourced from PubChem (CID 122512540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).