oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine

C21H24N2O4 — CID 171151210

IUPACoxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
SMILESC(=Cc1ccccc1)CN1CCN(c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H22N2.C2H2O4/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19;3-1(4)2(5)6/h1-12H,13-17H2;(H,3,4)(H,5,6)
InChIKeyJWKJKXQYHSRVEH-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.68
Rot. Bonds4

About oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine

oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 171151210) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Nameoxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
PubChem CID171151210
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameoxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
SMILESC(=Cc1ccccc1)CN1CCN(c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H22N2.C2H2O4/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19;3-1(4)2(5)6/h1-12H,13-17H2;(H,3,4)(H,5,6)
InChIKeyJWKJKXQYHSRVEH-UHFFFAOYSA-N
XLogP2.68
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.68
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

(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine
CID 57083687
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295151
oxalic acid;4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol
CID 163327121
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
tert-butyl N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]carbamate
CID 112984580
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide
CID 112984571
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine (CID 171151210) is oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine is C(=Cc1ccccc1)CN1CCN(c2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is JWKJKXQYHSRVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2.C2H2O4/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19;3-1(4)2(5)6/h1-12H,13-17H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine?
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 368.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 171151210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).