(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one

C22H26N2O2 — CID 110184452

IUPAC(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESCC(C(O)c1ccccc1)N1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26N2O2/c1-18(22(26)20-10-6-3-7-11-20)23-14-16-24(17-15-23)21(25)13-12-19-8-4-2-5-9-19/h2-13,18,22,26H,14-17H2,1H3/b13-12+
InChIKeyYJNJRBRKKARCIA-OUKQBFOZSA-N
MW350.46 g/mol
LogP2.97
Rot. Bonds5

About (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one

(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 110184452) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID110184452
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESCC(C(O)c1ccccc1)N1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26N2O2/c1-18(22(26)20-10-6-3-7-11-20)23-14-16-24(17-15-23)21(25)13-12-19-8-4-2-5-9-19/h2-13,18,22,26H,14-17H2,1H3/b13-12+
InChIKeyYJNJRBRKKARCIA-OUKQBFOZSA-N
XLogP2.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-[(1S,2R)-1-hydroxy-1-(4-propan-2-ylsulfanylphenyl)propan-2-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 70683006
1-[4-[(1S,2R)-1-hydroxy-1-(4-propan-2-ylsulfanylphenyl)propan-2-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 76956156
(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 110184552
1-(4-benzhydrylpiperazin-1-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 139840043
(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-bromophenyl)prop-2-en-1-one
CID 1009700
(E)-1-(4-benzhydrylpiperazin-1-yl)-3-[4-(ethylaminomethyl)phenyl]prop-2-en-1-one
CID 89214906
4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
CID 85433979
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
(E)-3-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 115342949
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
1-[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 54428673
ethyl 4-(3-phenylprop-2-enoyl)piperazine-1-carboxylate
CID 3334141

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one (CID 110184452) is (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one is CC(C(O)c1ccccc1)N1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is YJNJRBRKKARCIA-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-18(22(26)20-10-6-3-7-11-20)23-14-16-24(17-15-23)21(25)13-12-19-8-4-2-5-9-19/h2-13,18,22,26H,14-17H2,1H3/b13-12+.
What are the key properties of (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 350.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 110184452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).