1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol

C21H25N5O — CID 46863267

IUPAC1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol
SMILESOC(Cn1cc(CN2CCN(c3ccccc3)CC2)nn1)c1ccccc1
InChIInChI=1S/C21H25N5O/c27-21(18-7-3-1-4-8-18)17-26-16-19(22-23-26)15-24-11-13-25(14-12-24)20-9-5-2-6-10-20/h1-10,16,21,27H,11-15,17H2
InChIKeyNVQLACCXNSUPJM-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.33
Rot. Bonds6

About 1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol

1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol (PubChem CID 46863267) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol
PubChem CID46863267
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol
SMILESOC(Cn1cc(CN2CCN(c3ccccc3)CC2)nn1)c1ccccc1
InChIInChI=1S/C21H25N5O/c27-21(18-7-3-1-4-8-18)17-26-16-19(22-23-26)15-24-11-13-25(14-12-24)20-9-5-2-6-10-20/h1-10,16,21,27H,11-15,17H2
InChIKeyNVQLACCXNSUPJM-UHFFFAOYSA-N
XLogP2.33
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol?
The IUPAC name of 1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol (CID 46863267) is 1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol is OC(Cn1cc(CN2CCN(c3ccccc3)CC2)nn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol?
The InChIKey is NVQLACCXNSUPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-21(18-7-3-1-4-8-18)17-26-16-19(22-23-26)15-24-11-13-25(14-12-24)20-9-5-2-6-10-20/h1-10,16,21,27H,11-15,17H2.
What are the key properties of 1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol?
1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol has a molecular weight of 363.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 46863267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).