2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine

C23H29ClN2O — CID 67087042

IUPAC2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine
SMILESClc1ccc(OCC2CNCCN2c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29ClN2O/c24-20-8-12-23(13-9-20)27-17-22-16-25-14-15-26(22)21-10-6-19(7-11-21)18-4-2-1-3-5-18/h6-13,18,22,25H,1-5,14-17H2
InChIKeyRPDJEKYBZNOMGZ-UHFFFAOYSA-N
MW384.95 g/mol
LogP5.24
Rot. Bonds5

About 2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine

2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine (PubChem CID 67087042) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine
PubChem CID67087042
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine
SMILESClc1ccc(OCC2CNCCN2c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29ClN2O/c24-20-8-12-23(13-9-20)27-17-22-16-25-14-15-26(22)21-10-6-19(7-11-21)18-4-2-1-3-5-18/h6-13,18,22,25H,1-5,14-17H2
InChIKeyRPDJEKYBZNOMGZ-UHFFFAOYSA-N
XLogP5.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.95
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)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 2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine (CID 67087042) is 2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine is Clc1ccc(OCC2CNCCN2c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine?
The InChIKey is RPDJEKYBZNOMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O/c24-20-8-12-23(13-9-20)27-17-22-16-25-14-15-26(22)21-10-6-19(7-11-21)18-4-2-1-3-5-18/h6-13,18,22,25H,1-5,14-17H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine?
2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine has a molecular weight of 384.95 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-(4-cyclohexylphenyl)piperazine is sourced from PubChem (CID 67087042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).