1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine

C18H25N3S — CID 46186936

IUPAC1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
SMILESCCCCc1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H25N3S/c1-3-4-5-17-12-16(15-6-11-22-14-15)13-18(19-17)21-9-7-20(2)8-10-21/h6,11-14H,3-5,7-10H2,1-2H3
InChIKeyQXFQZPFQYXMZKV-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.90
Rot. Bonds5

About 1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine

1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine (PubChem CID 46186936) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is 1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
PubChem CID46186936
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
SMILESCCCCc1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H25N3S/c1-3-4-5-17-12-16(15-6-11-22-14-15)13-18(19-17)21-9-7-20(2)8-10-21/h6,11-14H,3-5,7-10H2,1-2H3
InChIKeyQXFQZPFQYXMZKV-UHFFFAOYSA-N
XLogP3.90
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine (CID 46186936) is 1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine is CCCCc1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
The InChIKey is QXFQZPFQYXMZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-3-4-5-17-12-16(15-6-11-22-14-15)13-18(19-17)21-9-7-20(2)8-10-21/h6,11-14H,3-5,7-10H2,1-2H3.
What are the key properties of 1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine has a molecular weight of 315.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 46186936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).