2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol

C23H28N2O2 — CID 23724034

IUPAC2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(CC#Cc3ccccc3)CC2CCO)c1
InChIInChI=1S/C23H28N2O2/c1-27-23-11-5-9-21(17-23)18-25-15-14-24(19-22(25)12-16-26)13-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,17,22,26H,12-16,18-19H2,1H3
InChIKeyUWPXKPVLKYGNGE-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.62
Rot. Bonds6

About 2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol

2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol (PubChem CID 23724034) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
PubChem CID23724034
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(CC#Cc3ccccc3)CC2CCO)c1
InChIInChI=1S/C23H28N2O2/c1-27-23-11-5-9-21(17-23)18-25-15-14-24(19-22(25)12-16-26)13-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,17,22,26H,12-16,18-19H2,1H3
InChIKeyUWPXKPVLKYGNGE-UHFFFAOYSA-N
XLogP2.62
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol (CID 23724034) is 2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol is COc1cccc(CN2CCN(CC#Cc3ccccc3)CC2CCO)c1.
What is the InChIKey of 2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
The InChIKey is UWPXKPVLKYGNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-23-11-5-9-21(17-23)18-25-15-14-24(19-22(25)12-16-26)13-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,17,22,26H,12-16,18-19H2,1H3.
What are the key properties of 2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol has a molecular weight of 364.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23724034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).