3-(4-methylpiperazin-1-yl)aniline

C11H17N3 — CID 11564613

IUPAC3-(4-methylpiperazin-1-yl)aniline
SMILESCN1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C11H17N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3
InChIKeyRJGHJWKQCJAJEP-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.02
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)aniline

3-(4-methylpiperazin-1-yl)aniline (PubChem CID 11564613) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)aniline
PubChem CID11564613
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-(4-methylpiperazin-1-yl)aniline
SMILESCN1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C11H17N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3
InChIKeyRJGHJWKQCJAJEP-UHFFFAOYSA-N
XLogP1.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
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 3-(4-methylpiperazin-1-yl)aniline?
The IUPAC name of 3-(4-methylpiperazin-1-yl)aniline (CID 11564613) is 3-(4-methylpiperazin-1-yl)aniline.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)aniline?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)aniline is CN1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)aniline?
The InChIKey is RJGHJWKQCJAJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)aniline?
3-(4-methylpiperazin-1-yl)aniline has a molecular weight of 191.28 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)aniline is sourced from PubChem (CID 11564613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).