oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine

C24H30N2O4 — CID 23724167

IUPACoxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine
SMILESCC(CN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C22H28N2.C2H2O4/c1-20(22-12-6-3-7-13-22)19-24-17-15-23(16-18-24)14-8-11-21-9-4-2-5-10-21;3-1(4)2(5)6/h2-13,20H,14-19H2,1H3;(H,3,4)(H,5,6)/b11-8+;
InChIKeyUWLNIVBWLWLOEP-YGCVIUNWSA-N
MW410.51 g/mol
LogP3.28
Rot. Bonds6

About oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine

oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine (PubChem CID 23724167) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine.

Molecular Properties

Compound Nameoxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine
PubChem CID23724167
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Nameoxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine
SMILESCC(CN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C22H28N2.C2H2O4/c1-20(22-12-6-3-7-13-22)19-24-17-15-23(16-18-24)14-8-11-21-9-4-2-5-10-21;3-1(4)2(5)6/h2-13,20H,14-19H2,1H3;(H,3,4)(H,5,6)/b11-8+;
InChIKeyUWLNIVBWLWLOEP-YGCVIUNWSA-N
XLogP3.28
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cyclizine Lactate
CID 71473
2-Phenyl-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethanone
CID 2881130
1-Benzyl-4-(2-phenylpropyl)piperazine;oxalic acid
CID 23724195
1-(2-Methyl-benzyl)-4-(2-trifluoromethyl-benzyl)-piperazine
CID 11948901
1-(4-Methyl-benzyl)-4-(2-trifluoromethyl-benzyl)-piperazine
CID 11948905
1-[(2-Fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
CID 16195106
Oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine
CID 2911895
(4-Methyl-piperidin-1-yl)-[1-(2-phenyl-propyl)-piperidin-4-yl]-methanone
CID 9549557
1-Benzyl-4-bicyclo[2.2.1]hept-5-en-2-ylmethyl-piperazine
CID 11948878
1-Benzhydryl-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 23724216
1-Benzhydryl-4-benzylpiperazine;oxalic acid
CID 23724260
1-Benzhydryl-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 23724282

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine?
The IUPAC name of oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine (CID 23724167) is oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine.
What is the SMILES notation for oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine?
The canonical SMILES for oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine is CC(CN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine?
The InChIKey is UWLNIVBWLWLOEP-YGCVIUNWSA-N. The full InChI is InChI=1S/C22H28N2.C2H2O4/c1-20(22-12-6-3-7-13-22)19-24-17-15-23(16-18-24)14-8-11-21-9-4-2-5-10-21;3-1(4)2(5)6/h2-13,20H,14-19H2,1H3;(H,3,4)(H,5,6)/b11-8+;.
What are the key properties of oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine?
oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine has a molecular weight of 410.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine is sourced from PubChem (CID 23724167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).