1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine

C21H25N3 — CID 15079635

IUPAC1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine
SMILESC1=C(c2ccccc2)CCC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C21H25N3/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)23-14-16-24(17-15-23)21-8-4-5-13-22-21/h1-9,13,20H,10-12,14-17H2
InChIKeyMBOHGQXYZVXXQF-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.84
Rot. Bonds3

About 1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine

1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine (PubChem CID 15079635) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine
PubChem CID15079635
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine
SMILESC1=C(c2ccccc2)CCC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C21H25N3/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)23-14-16-24(17-15-23)21-8-4-5-13-22-21/h1-9,13,20H,10-12,14-17H2
InChIKeyMBOHGQXYZVXXQF-UHFFFAOYSA-N
XLogP3.84
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine (CID 15079635) is 1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine is C1=C(c2ccccc2)CCC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine?
The InChIKey is MBOHGQXYZVXXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)23-14-16-24(17-15-23)21-8-4-5-13-22-21/h1-9,13,20H,10-12,14-17H2.
What are the key properties of 1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine?
1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine has a molecular weight of 319.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylcyclohex-3-en-1-yl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 15079635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).