2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine

C16H23N3 — CID 67836287

IUPAC2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine
SMILESCN1CCN(c2ccccn2)C(C2=CCCCC2)C1
InChIInChI=1S/C16H23N3/c1-18-11-12-19(16-9-5-6-10-17-16)15(13-18)14-7-3-2-4-8-14/h5-7,9-10,15H,2-4,8,11-13H2,1H3
InChIKeyCVRUWRPYIZKGHL-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.70
Rot. Bonds2

About 2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine

2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine (PubChem CID 67836287) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine
PubChem CID67836287
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine
SMILESCN1CCN(c2ccccn2)C(C2=CCCCC2)C1
InChIInChI=1S/C16H23N3/c1-18-11-12-19(16-9-5-6-10-17-16)15(13-18)14-7-3-2-4-8-14/h5-7,9-10,15H,2-4,8,11-13H2,1H3
InChIKeyCVRUWRPYIZKGHL-UHFFFAOYSA-N
XLogP2.70
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine?
The IUPAC name of 2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine (CID 67836287) is 2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine is CN1CCN(c2ccccn2)C(C2=CCCCC2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine?
The InChIKey is CVRUWRPYIZKGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-18-11-12-19(16-9-5-6-10-17-16)15(13-18)14-7-3-2-4-8-14/h5-7,9-10,15H,2-4,8,11-13H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine?
2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine has a molecular weight of 257.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-methyl-1-pyridin-2-ylpiperazine is sourced from PubChem (CID 67836287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).