4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid

C22H26N2O3 — CID 166307772

IUPAC4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid
SMILESO=C(O)c1ccc(C(O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c25-21(19-8-10-20(11-9-19)22(26)27)17-24-15-13-23(14-16-24)12-4-7-18-5-2-1-3-6-18/h1-11,21,25H,12-17H2,(H,26,27)/b7-4+
InChIKeyADYDRLJDNGPKHU-QPJJXVBHSA-N
MW366.46 g/mol
LogP2.75
Rot. Bonds7

About 4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid

4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid (PubChem CID 166307772) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid
PubChem CID166307772
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid
SMILESO=C(O)c1ccc(C(O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c25-21(19-8-10-20(11-9-19)22(26)27)17-24-15-13-23(14-16-24)12-4-7-18-5-2-1-3-6-18/h1-11,21,25H,12-17H2,(H,26,27)/b7-4+
InChIKeyADYDRLJDNGPKHU-QPJJXVBHSA-N
XLogP2.75
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 95322641
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2838766
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid?
The IUPAC name of 4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid (CID 166307772) is 4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid.
What is the SMILES notation for 4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid?
The canonical SMILES for 4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid is O=C(O)c1ccc(C(O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid?
The InChIKey is ADYDRLJDNGPKHU-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(19-8-10-20(11-9-19)22(26)27)17-24-15-13-23(14-16-24)12-4-7-18-5-2-1-3-6-18/h1-11,21,25H,12-17H2,(H,26,27)/b7-4+.
What are the key properties of 4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid?
4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid has a molecular weight of 366.46 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid is sourced from PubChem (CID 166307772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).