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

C21H27N3S — CID 15079637

IUPAC1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine
SMILESC1=C(c2cccs2)CCC(CCN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C21H27N3S/c1-2-11-22-21(5-1)24-15-13-23(14-16-24)12-10-18-6-8-19(9-7-18)20-4-3-17-25-20/h1-5,8,11,17-18H,6-7,9-10,12-16H2
InChIKeyAAFWZBAPCZZXNP-UHFFFAOYSA-N
MW353.53 g/mol
LogP4.54
Rot. Bonds5

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

1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine (PubChem CID 15079637) has the molecular formula C21H27N3S and a molecular weight of 353.53 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine
PubChem CID15079637
Molecular FormulaC21H27N3S
Molecular Weight353.53 g/mol
Exact Mass353.19
IUPAC Name1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine
SMILESC1=C(c2cccs2)CCC(CCN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C21H27N3S/c1-2-11-22-21(5-1)24-15-13-23(14-16-24)12-10-18-6-8-19(9-7-18)20-4-3-17-25-20/h1-5,8,11,17-18H,6-7,9-10,12-16H2
InChIKeyAAFWZBAPCZZXNP-UHFFFAOYSA-N
XLogP4.54
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 54.54
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-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine (CID 15079637) is 1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine is C1=C(c2cccs2)CCC(CCN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine?
The InChIKey is AAFWZBAPCZZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3S/c1-2-11-22-21(5-1)24-15-13-23(14-16-24)12-10-18-6-8-19(9-7-18)20-4-3-17-25-20/h1-5,8,11,17-18H,6-7,9-10,12-16H2.
What are the key properties of 1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine?
1-pyridin-2-yl-4-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine has a molecular weight of 353.53 g/mol, XLogP of 4.54, 5 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-[2-(4-thiophen-2-ylcyclohex-3-en-1-yl)ethyl]piperazine is sourced from PubChem (CID 15079637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).