1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine

C19H30N2O — CID 3087248

IUPAC1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine
SMILESCCOCCN1CCN(c2ccccc2C2CCCC2)CC1
InChIInChI=1S/C19H30N2O/c1-2-22-16-15-20-11-13-21(14-12-20)19-10-6-5-9-18(19)17-7-3-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3
InChIKeyRSTVNKZFGMRPSV-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.50
Rot. Bonds6

About 1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine

1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine (PubChem CID 3087248) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine.

Molecular Properties

Compound Name1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine
PubChem CID3087248
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine
SMILESCCOCCN1CCN(c2ccccc2C2CCCC2)CC1
InChIInChI=1S/C19H30N2O/c1-2-22-16-15-20-11-13-21(14-12-20)19-10-6-5-9-18(19)17-7-3-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3
InChIKeyRSTVNKZFGMRPSV-UHFFFAOYSA-N
XLogP3.50
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)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-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine?
The IUPAC name of 1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine (CID 3087248) is 1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine.
What is the SMILES notation for 1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine?
The canonical SMILES for 1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine is CCOCCN1CCN(c2ccccc2C2CCCC2)CC1.
What is the InChIKey of 1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine?
The InChIKey is RSTVNKZFGMRPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-2-22-16-15-20-11-13-21(14-12-20)19-10-6-5-9-18(19)17-7-3-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3.
What are the key properties of 1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine?
1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine has a molecular weight of 302.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine is sourced from PubChem (CID 3087248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).