1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid

C22H28N2O4 — CID 23724195

IUPAC1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid
SMILESCC(CN1CCN(Cc2ccccc2)CC1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C20H26N2.C2H2O4/c1-18(20-10-6-3-7-11-20)16-21-12-14-22(15-13-21)17-19-8-4-2-5-9-19;3-1(4)2(5)6/h2-11,18H,12-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyBWXCJUWQBFCJQE-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.76
Rot. Bonds5

About 1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid

1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid (PubChem CID 23724195) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid
PubChem CID23724195
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid
SMILESCC(CN1CCN(Cc2ccccc2)CC1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C20H26N2.C2H2O4/c1-18(20-10-6-3-7-11-20)16-21-12-14-22(15-13-21)17-19-8-4-2-5-9-19;3-1(4)2(5)6/h2-11,18H,12-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyBWXCJUWQBFCJQE-UHFFFAOYSA-N
XLogP2.76
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid?
The IUPAC name of 1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid (CID 23724195) is 1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid.
What is the SMILES notation for 1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid?
The canonical SMILES for 1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid is CC(CN1CCN(Cc2ccccc2)CC1)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid?
The InChIKey is BWXCJUWQBFCJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2.C2H2O4/c1-18(20-10-6-3-7-11-20)16-21-12-14-22(15-13-21)17-19-8-4-2-5-9-19;3-1(4)2(5)6/h2-11,18H,12-17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid?
1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid has a molecular weight of 384.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-phenylpropyl)piperazine;oxalic acid is sourced from PubChem (CID 23724195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).