3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid

C16H22N2O2 — CID 67280873

IUPAC3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(20)8-10-18-13-11-17(12-14-18)9-4-7-15-5-2-1-3-6-15/h1-7H,8-14H2,(H,19,20)
InChIKeyXTEMLSPUDWDXPZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.79
Rot. Bonds6

About 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid

3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid (PubChem CID 67280873) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
PubChem CID67280873
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c19-16(20)8-10-18-13-11-17(12-14-18)9-4-7-15-5-2-1-3-6-15/h1-7H,8-14H2,(H,19,20)
InChIKeyXTEMLSPUDWDXPZ-UHFFFAOYSA-N
XLogP1.79
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109030031
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030023
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 110688701
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid (CID 67280873) is 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid?
The InChIKey is XTEMLSPUDWDXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(20)8-10-18-13-11-17(12-14-18)9-4-7-15-5-2-1-3-6-15/h1-7H,8-14H2,(H,19,20).
What are the key properties of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid?
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 67280873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).