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

C22H28N4 — CID 15079633

IUPAC1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine
SMILESC1=C(c2ccccn2)CCC(CCN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C22H28N4/c1-3-12-23-21(5-1)20-9-7-19(8-10-20)11-14-25-15-17-26(18-16-25)22-6-2-4-13-24-22/h1-6,9,12-13,19H,7-8,10-11,14-18H2
InChIKeyKTGXACIWWLVCPX-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.87
Rot. Bonds5

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

1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine (PubChem CID 15079633) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine
PubChem CID15079633
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine
SMILESC1=C(c2ccccn2)CCC(CCN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C22H28N4/c1-3-12-23-21(5-1)20-9-7-19(8-10-20)11-14-25-15-17-26(18-16-25)22-6-2-4-13-24-22/h1-6,9,12-13,19H,7-8,10-11,14-18H2
InChIKeyKTGXACIWWLVCPX-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.87
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-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine (CID 15079633) is 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine is C1=C(c2ccccn2)CCC(CCN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine?
The InChIKey is KTGXACIWWLVCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-3-12-23-21(5-1)20-9-7-19(8-10-20)11-14-25-15-17-26(18-16-25)22-6-2-4-13-24-22/h1-6,9,12-13,19H,7-8,10-11,14-18H2.
What are the key properties of 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine?
1-pyridin-2-yl-4-[2-(4-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine has a molecular weight of 348.49 g/mol, XLogP of 3.87, 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-pyridin-2-ylcyclohex-3-en-1-yl)ethyl]piperazine is sourced from PubChem (CID 15079633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).