4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine

C21H37N3 — CID 90321693

IUPAC4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine
SMILESC1=CC(C2CC(C3CCCCN3)NC(C3CCCCN3)C2)CCC1
InChIInChI=1S/C21H37N3/c1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19/h2,8,16-24H,1,3-7,9-15H2
InChIKeyJKEULJIXEUDIQX-UHFFFAOYSA-N
MW331.55 g/mol
LogP3.36
Rot. Bonds3

About 4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine

4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine (PubChem CID 90321693) has the molecular formula C21H37N3 and a molecular weight of 331.55 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine
PubChem CID90321693
Molecular FormulaC21H37N3
Molecular Weight331.55 g/mol
Exact Mass331.30
IUPAC Name4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine
SMILESC1=CC(C2CC(C3CCCCN3)NC(C3CCCCN3)C2)CCC1
InChIInChI=1S/C21H37N3/c1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19/h2,8,16-24H,1,3-7,9-15H2
InChIKeyJKEULJIXEUDIQX-UHFFFAOYSA-N
XLogP3.36
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine 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 4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine?
The IUPAC name of 4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine (CID 90321693) is 4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine?
The canonical SMILES for 4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine is C1=CC(C2CC(C3CCCCN3)NC(C3CCCCN3)C2)CCC1.
What is the InChIKey of 4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine?
The InChIKey is JKEULJIXEUDIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3/c1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19/h2,8,16-24H,1,3-7,9-15H2.
What are the key properties of 4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine?
4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine has a molecular weight of 331.55 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-2,6-di(piperidin-2-yl)piperidine is sourced from PubChem (CID 90321693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).