1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid

C30H34N2O6 — CID 56946572

IUPAC1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
SMILESCOc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C28H32N2O2.C2H2O4/c1-31-27-15-9-8-14-26(27)30-20-18-29(19-21-30)22-25-16-17-28(32-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24;3-1(4)2(5)6/h2-15,25H,16-22H2,1H3;(H,3,4)(H,5,6)
InChIKeyDHKGWHVLDBGHID-UHFFFAOYSA-N
MW518.61 g/mol
LogP4.10
Rot. Bonds6

About 1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid

1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid (PubChem CID 56946572) has the molecular formula C30H34N2O6 and a molecular weight of 518.61 g/mol. Its IUPAC name is 1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
PubChem CID56946572
Molecular FormulaC30H34N2O6
Molecular Weight518.61 g/mol
Exact Mass518.24
IUPAC Name1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
SMILESCOc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C28H32N2O2.C2H2O4/c1-31-27-15-9-8-14-26(27)30-20-18-29(19-21-30)22-25-16-17-28(32-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24;3-1(4)2(5)6/h2-15,25H,16-22H2,1H3;(H,3,4)(H,5,6)
InChIKeyDHKGWHVLDBGHID-UHFFFAOYSA-N
XLogP4.10
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.61
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid 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-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid?
The IUPAC name of 1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid (CID 56946572) is 1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid.
What is the SMILES notation for 1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid?
The canonical SMILES for 1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid is COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid?
The InChIKey is DHKGWHVLDBGHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2.C2H2O4/c1-31-27-15-9-8-14-26(27)30-20-18-29(19-21-30)22-25-16-17-28(32-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24;3-1(4)2(5)6/h2-15,25H,16-22H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid?
1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid has a molecular weight of 518.61 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid is sourced from PubChem (CID 56946572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).