6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol

C21H26N2O — CID 44522273

IUPAC6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESOc1cc2c(cc1CN1CCN(Cc3ccccc3)CC1)CCC2
InChIInChI=1S/C21H26N2O/c24-21-14-19-8-4-7-18(19)13-20(21)16-23-11-9-22(10-12-23)15-17-5-2-1-3-6-17/h1-3,5-6,13-14,24H,4,7-12,15-16H2
InChIKeyVXCLHLQTSZGIQE-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.20
Rot. Bonds4

About 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol

6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 44522273) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID44522273
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESOc1cc2c(cc1CN1CCN(Cc3ccccc3)CC1)CCC2
InChIInChI=1S/C21H26N2O/c24-21-14-19-8-4-7-18(19)13-20(21)16-23-11-9-22(10-12-23)15-17-5-2-1-3-6-17/h1-3,5-6,13-14,24H,4,7-12,15-16H2
InChIKeyVXCLHLQTSZGIQE-UHFFFAOYSA-N
XLogP3.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol 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 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol (CID 44522273) is 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol is Oc1cc2c(cc1CN1CCN(Cc3ccccc3)CC1)CCC2.
What is the InChIKey of 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is VXCLHLQTSZGIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c24-21-14-19-8-4-7-18(19)13-20(21)16-23-11-9-22(10-12-23)15-17-5-2-1-3-6-17/h1-3,5-6,13-14,24H,4,7-12,15-16H2.
What are the key properties of 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 322.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 44522273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).