1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol

C24H26N2O — CID 2213235

IUPAC1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H26N2O/c27-24-13-12-21-10-4-5-11-22(21)23(24)19-26-17-15-25(16-18-26)14-6-9-20-7-2-1-3-8-20/h1-13,27H,14-19H2/b9-6+
InChIKeyNAXDHWXMVXAYBU-RMKNXTFCSA-N
MW358.49 g/mol
LogP4.38
Rot. Bonds5

About 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol

1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol (PubChem CID 2213235) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol
PubChem CID2213235
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H26N2O/c27-24-13-12-21-10-4-5-11-22(21)23(24)19-26-17-15-25(16-18-26)14-6-9-20-7-2-1-3-8-20/h1-13,27H,14-19H2/b9-6+
InChIKeyNAXDHWXMVXAYBU-RMKNXTFCSA-N
XLogP4.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4269194
1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377016
1-[[4-[2-hydroxy-3-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 23878911
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]naphthalen-1-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68694569
4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 782278
oxalic acid;4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol
CID 163327121
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 9325307
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31252685
2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol
CID 54525404
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol (CID 2213235) is 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol?
The InChIKey is NAXDHWXMVXAYBU-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H26N2O/c27-24-13-12-21-10-4-5-11-22(21)23(24)19-26-17-15-25(16-18-26)14-6-9-20-7-2-1-3-8-20/h1-13,27H,14-19H2/b9-6+.
What are the key properties of 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol?
1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol has a molecular weight of 358.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 2213235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).