3-(4-methyl-2-methylidenepiperazin-1-yl)aniline

C12H17N3 — CID 89382689

IUPAC3-(4-methyl-2-methylidenepiperazin-1-yl)aniline
SMILESC=C1CN(C)CCN1c1cccc(N)c1
InChIInChI=1S/C12H17N3/c1-10-9-14(2)6-7-15(10)12-5-3-4-11(13)8-12/h3-5,8H,1,6-7,9,13H2,2H3
InChIKeyUHOVHFYGQPCCNI-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.53
Rot. Bonds1

About 3-(4-methyl-2-methylidenepiperazin-1-yl)aniline

3-(4-methyl-2-methylidenepiperazin-1-yl)aniline (PubChem CID 89382689) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(4-methyl-2-methylidenepiperazin-1-yl)aniline.

Molecular Properties

Compound Name3-(4-methyl-2-methylidenepiperazin-1-yl)aniline
PubChem CID89382689
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-(4-methyl-2-methylidenepiperazin-1-yl)aniline
SMILESC=C1CN(C)CCN1c1cccc(N)c1
InChIInChI=1S/C12H17N3/c1-10-9-14(2)6-7-15(10)12-5-3-4-11(13)8-12/h3-5,8H,1,6-7,9,13H2,2H3
InChIKeyUHOVHFYGQPCCNI-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.53
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-methyl-2-methylidenepiperazin-1-yl)aniline?
The IUPAC name of 3-(4-methyl-2-methylidenepiperazin-1-yl)aniline (CID 89382689) is 3-(4-methyl-2-methylidenepiperazin-1-yl)aniline.
What is the SMILES notation for 3-(4-methyl-2-methylidenepiperazin-1-yl)aniline?
The canonical SMILES for 3-(4-methyl-2-methylidenepiperazin-1-yl)aniline is C=C1CN(C)CCN1c1cccc(N)c1.
What is the InChIKey of 3-(4-methyl-2-methylidenepiperazin-1-yl)aniline?
The InChIKey is UHOVHFYGQPCCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-9-14(2)6-7-15(10)12-5-3-4-11(13)8-12/h3-5,8H,1,6-7,9,13H2,2H3.
What are the key properties of 3-(4-methyl-2-methylidenepiperazin-1-yl)aniline?
3-(4-methyl-2-methylidenepiperazin-1-yl)aniline has a molecular weight of 203.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-methylidenepiperazin-1-yl)aniline is sourced from PubChem (CID 89382689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).