1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine

C23H28N2 — CID 10359439

IUPAC1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine
SMILESC1=C(c2ccccc2)CC(CN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H28N2/c1-3-9-21(10-4-1)22-11-7-8-20(18-22)19-24-14-16-25(17-15-24)23-12-5-2-6-13-23/h1-6,9-13,20H,7-8,14-19H2
InChIKeyDIIHIBQLKHJDKZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.69
Rot. Bonds4

About 1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine

1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine (PubChem CID 10359439) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine
PubChem CID10359439
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine
SMILESC1=C(c2ccccc2)CC(CN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H28N2/c1-3-9-21(10-4-1)22-11-7-8-20(18-22)19-24-14-16-25(17-15-24)23-12-5-2-6-13-23/h1-6,9-13,20H,7-8,14-19H2
InChIKeyDIIHIBQLKHJDKZ-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine 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-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine?
The IUPAC name of 1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine (CID 10359439) is 1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine is C1=C(c2ccccc2)CC(CN2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine?
The InChIKey is DIIHIBQLKHJDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-3-9-21(10-4-1)22-11-7-8-20(18-22)19-24-14-16-25(17-15-24)23-12-5-2-6-13-23/h1-6,9-13,20H,7-8,14-19H2.
What are the key properties of 1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine?
1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine has a molecular weight of 332.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazine is sourced from PubChem (CID 10359439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).