4-(4-methylpiperazin-2-yl)aniline

C11H17N3 — CID 66617407

IUPAC4-(4-methylpiperazin-2-yl)aniline
SMILESCN1CCNC(c2ccc(N)cc2)C1
InChIInChI=1S/C11H17N3/c1-14-7-6-13-11(8-14)9-2-4-10(12)5-3-9/h2-5,11,13H,6-8,12H2,1H3
InChIKeyJCEIQYAKMMYTMD-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.84
Rot. Bonds1

About 4-(4-methylpiperazin-2-yl)aniline

4-(4-methylpiperazin-2-yl)aniline (PubChem CID 66617407) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-(4-methylpiperazin-2-yl)aniline.

Molecular Properties

Compound Name4-(4-methylpiperazin-2-yl)aniline
PubChem CID66617407
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-(4-methylpiperazin-2-yl)aniline
SMILESCN1CCNC(c2ccc(N)cc2)C1
InChIInChI=1S/C11H17N3/c1-14-7-6-13-11(8-14)9-2-4-10(12)5-3-9/h2-5,11,13H,6-8,12H2,1H3
InChIKeyJCEIQYAKMMYTMD-UHFFFAOYSA-N
XLogP0.84
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
N,N'-Di-o-tolylethylenediamine
CID 66759
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
Despropionyl meta-fluorofentanyl
CID 23741730
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
3-Fluoro-4-piperazin-1-yl-benzonitrile
CID 596113
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
CID 693288
1-(2,3-Xylyl)piperazine
CID 70541
2-Mepp
CID 91965

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-2-yl)aniline?
The IUPAC name of 4-(4-methylpiperazin-2-yl)aniline (CID 66617407) is 4-(4-methylpiperazin-2-yl)aniline.
What is the SMILES notation for 4-(4-methylpiperazin-2-yl)aniline?
The canonical SMILES for 4-(4-methylpiperazin-2-yl)aniline is CN1CCNC(c2ccc(N)cc2)C1.
What is the InChIKey of 4-(4-methylpiperazin-2-yl)aniline?
The InChIKey is JCEIQYAKMMYTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-14-7-6-13-11(8-14)9-2-4-10(12)5-3-9/h2-5,11,13H,6-8,12H2,1H3.
What are the key properties of 4-(4-methylpiperazin-2-yl)aniline?
4-(4-methylpiperazin-2-yl)aniline has a molecular weight of 191.28 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-2-yl)aniline is sourced from PubChem (CID 66617407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).