1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine

C17H23N3S — CID 46203645

IUPAC1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine
SMILESCC(C)c1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H23N3S/c1-13(2)16-10-15(14-4-9-21-12-14)11-17(18-16)20-7-5-19(3)6-8-20/h4,9-13H,5-8H2,1-3H3
InChIKeyOTYGUGGEVVLOCC-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.69
Rot. Bonds3

About 1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine

1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine (PubChem CID 46203645) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine
PubChem CID46203645
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine
SMILESCC(C)c1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H23N3S/c1-13(2)16-10-15(14-4-9-21-12-14)11-17(18-16)20-7-5-19(3)6-8-20/h4,9-13H,5-8H2,1-3H3
InChIKeyOTYGUGGEVVLOCC-UHFFFAOYSA-N
XLogP3.69
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine?
The IUPAC name of 1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine (CID 46203645) is 1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine is CC(C)c1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine?
The InChIKey is OTYGUGGEVVLOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13(2)16-10-15(14-4-9-21-12-14)11-17(18-16)20-7-5-19(3)6-8-20/h4,9-13H,5-8H2,1-3H3.
What are the key properties of 1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine?
1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine has a molecular weight of 301.46 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 46203645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).