1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine

C20H25N3S — CID 15079636

IUPAC1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine
SMILESC1=C(c2cccs2)CCC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H25N3S/c1-2-10-21-20(5-1)23-13-11-22(12-14-23)16-17-6-8-18(9-7-17)19-4-3-15-24-19/h1-5,8,10,15,17H,6-7,9,11-14,16H2
InChIKeyQFAVGTOUBHVISF-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.15
Rot. Bonds4

About 1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine

1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine (PubChem CID 15079636) has the molecular formula C20H25N3S and a molecular weight of 339.51 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine
PubChem CID15079636
Molecular FormulaC20H25N3S
Molecular Weight339.51 g/mol
Exact Mass339.18
IUPAC Name1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine
SMILESC1=C(c2cccs2)CCC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H25N3S/c1-2-10-21-20(5-1)23-13-11-22(12-14-23)16-17-6-8-18(9-7-17)19-4-3-15-24-19/h1-5,8,10,15,17H,6-7,9,11-14,16H2
InChIKeyQFAVGTOUBHVISF-UHFFFAOYSA-N
XLogP4.15
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine (CID 15079636) is 1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine is C1=C(c2cccs2)CCC(CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine?
The InChIKey is QFAVGTOUBHVISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3S/c1-2-10-21-20(5-1)23-13-11-22(12-14-23)16-17-6-8-18(9-7-17)19-4-3-15-24-19/h1-5,8,10,15,17H,6-7,9,11-14,16H2.
What are the key properties of 1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine?
1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine has a molecular weight of 339.51 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[(4-thiophen-2-ylcyclohex-3-en-1-yl)methyl]piperazine is sourced from PubChem (CID 15079636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).