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

C20H24N4 — CID 15079632

IUPAC1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine
SMILESC1=C(c2ccccn2)CCC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H24N4/c1-3-11-21-19(5-1)17-7-9-18(10-8-17)23-13-15-24(16-14-23)20-6-2-4-12-22-20/h1-7,11-12,18H,8-10,13-16H2
InChIKeyMCTSZRVXVCAAHY-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.23
Rot. Bonds3

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

1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine (PubChem CID 15079632) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine
PubChem CID15079632
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine
SMILESC1=C(c2ccccn2)CCC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H24N4/c1-3-11-21-19(5-1)17-7-9-18(10-8-17)23-13-15-24(16-14-23)20-6-2-4-12-22-20/h1-7,11-12,18H,8-10,13-16H2
InChIKeyMCTSZRVXVCAAHY-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.23
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-pyridin-2-ylcyclohex-3-en-1-yl)piperazine?
The IUPAC name of 1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine (CID 15079632) is 1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine is C1=C(c2ccccn2)CCC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine?
The InChIKey is MCTSZRVXVCAAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-3-11-21-19(5-1)17-7-9-18(10-8-17)23-13-15-24(16-14-23)20-6-2-4-12-22-20/h1-7,11-12,18H,8-10,13-16H2.
What are the key properties of 1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine?
1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine has a molecular weight of 320.44 g/mol, XLogP of 3.23, 3 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-pyridin-2-ylcyclohex-3-en-1-yl)piperazine is sourced from PubChem (CID 15079632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).