3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline

C14H23N3 — CID 112647790

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline
SMILESCCC1CN(c2cc(C)cc(N)c2)CCN1C
InChIInChI=1S/C14H23N3/c1-4-13-10-17(6-5-16(13)3)14-8-11(2)7-12(15)9-14/h7-9,13H,4-6,10,15H2,1-3H3
InChIKeyKVQAMKXBUBOXJU-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.11
Rot. Bonds2

About 3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline

3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline (PubChem CID 112647790) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline
PubChem CID112647790
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline
SMILESCCC1CN(c2cc(C)cc(N)c2)CCN1C
InChIInChI=1S/C14H23N3/c1-4-13-10-17(6-5-16(13)3)14-8-11(2)7-12(15)9-14/h7-9,13H,4-6,10,15H2,1-3H3
InChIKeyKVQAMKXBUBOXJU-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline (CID 112647790) is 3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline is CCC1CN(c2cc(C)cc(N)c2)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline?
The InChIKey is KVQAMKXBUBOXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-13-10-17(6-5-16(13)3)14-8-11(2)7-12(15)9-14/h7-9,13H,4-6,10,15H2,1-3H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline?
3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline has a molecular weight of 233.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline is sourced from PubChem (CID 112647790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).