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

C20H27N3S — CID 46203648

IUPAC1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2cc(-c3ccsc3)cc(C3CCCCC3)n2)CC1
InChIInChI=1S/C20H27N3S/c1-22-8-10-23(11-9-22)20-14-18(17-7-12-24-15-17)13-19(21-20)16-5-3-2-4-6-16/h7,12-16H,2-6,8-11H2,1H3
InChIKeyYLCOJAHGOMTYHS-UHFFFAOYSA-N
MW341.52 g/mol
LogP4.61
Rot. Bonds3

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

1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine (PubChem CID 46203648) has the molecular formula C20H27N3S and a molecular weight of 341.52 g/mol. Its IUPAC name is 1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
PubChem CID46203648
Molecular FormulaC20H27N3S
Molecular Weight341.52 g/mol
Exact Mass341.19
IUPAC Name1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2cc(-c3ccsc3)cc(C3CCCCC3)n2)CC1
InChIInChI=1S/C20H27N3S/c1-22-8-10-23(11-9-22)20-14-18(17-7-12-24-15-17)13-19(21-20)16-5-3-2-4-6-16/h7,12-16H,2-6,8-11H2,1H3
InChIKeyYLCOJAHGOMTYHS-UHFFFAOYSA-N
XLogP4.61
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine (CID 46203648) is 1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine is CN1CCN(c2cc(-c3ccsc3)cc(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
The InChIKey is YLCOJAHGOMTYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3S/c1-22-8-10-23(11-9-22)20-14-18(17-7-12-24-15-17)13-19(21-20)16-5-3-2-4-6-16/h7,12-16H,2-6,8-11H2,1H3.
What are the key properties of 1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine has a molecular weight of 341.52 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 46203648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).