1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine

C21H26N2O — CID 3067675

IUPAC1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(CC2CCc3ccccc3O2)CC1
InChIInChI=1S/C21H26N2O/c1-17-6-2-4-8-20(17)23-14-12-22(13-15-23)16-19-11-10-18-7-3-5-9-21(18)24-19/h2-9,19H,10-16H2,1H3
InChIKeyZABJPRHLQBKZCV-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.51
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine

1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine (PubChem CID 3067675) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine
PubChem CID3067675
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(CC2CCc3ccccc3O2)CC1
InChIInChI=1S/C21H26N2O/c1-17-6-2-4-8-20(17)23-14-12-22(13-15-23)16-19-11-10-18-7-3-5-9-21(18)24-19/h2-9,19H,10-16H2,1H3
InChIKeyZABJPRHLQBKZCV-UHFFFAOYSA-N
XLogP3.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)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-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine (CID 3067675) is 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine is Cc1ccccc1N1CCN(CC2CCc3ccccc3O2)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine?
The InChIKey is ZABJPRHLQBKZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-6-2-4-8-20(17)23-14-12-22(13-15-23)16-19-11-10-18-7-3-5-9-21(18)24-19/h2-9,19H,10-16H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine?
1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine has a molecular weight of 322.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-2-ylmethyl)-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 3067675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).