(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine

C11H19N3S — CID 79659584

IUPAC(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine
SMILESCN1CCN(C)C(C(N)c2ccsc2)C1
InChIInChI=1S/C11H19N3S/c1-13-4-5-14(2)10(7-13)11(12)9-3-6-15-8-9/h3,6,8,10-11H,4-5,7,12H2,1-2H3
InChIKeyNCGQBXBOOVGUIH-UHFFFAOYSA-N
MW225.36 g/mol
LogP0.99
Rot. Bonds2

About (1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine

(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine (PubChem CID 79659584) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine
PubChem CID79659584
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine
SMILESCN1CCN(C)C(C(N)c2ccsc2)C1
InChIInChI=1S/C11H19N3S/c1-13-4-5-14(2)10(7-13)11(12)9-3-6-15-8-9/h3,6,8,10-11H,4-5,7,12H2,1-2H3
InChIKeyNCGQBXBOOVGUIH-UHFFFAOYSA-N
XLogP0.99
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine (CID 79659584) is (1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine is CN1CCN(C)C(C(N)c2ccsc2)C1.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine?
The InChIKey is NCGQBXBOOVGUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-13-4-5-14(2)10(7-13)11(12)9-3-6-15-8-9/h3,6,8,10-11H,4-5,7,12H2,1-2H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine?
(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine has a molecular weight of 225.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 79659584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).