2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol

C25H30N6O — CID 10788768

IUPAC2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol
SMILESOCC(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C25H30N6O/c32-17-25(20-5-2-1-3-6-20)30-13-11-29(12-14-30)10-4-7-21-16-26-24-9-8-22(15-23(21)24)31-18-27-28-19-31/h1-3,5-6,8-9,15-16,18-19,25-26,32H,4,7,10-14,17H2
InChIKeyKWFSABSQVNXQKZ-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.03
Rot. Bonds8

About 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol

2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol (PubChem CID 10788768) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol
PubChem CID10788768
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol
SMILESOCC(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C25H30N6O/c32-17-25(20-5-2-1-3-6-20)30-13-11-29(12-14-30)10-4-7-21-16-26-24-9-8-22(15-23(21)24)31-18-27-28-19-31/h1-3,5-6,8-9,15-16,18-19,25-26,32H,4,7,10-14,17H2
InChIKeyKWFSABSQVNXQKZ-UHFFFAOYSA-N
XLogP3.03
TPSA73.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol (CID 10788768) is 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol is OCC(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1.
What is the InChIKey of 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol?
The InChIKey is KWFSABSQVNXQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c32-17-25(20-5-2-1-3-6-20)30-13-11-29(12-14-30)10-4-7-21-16-26-24-9-8-22(15-23(21)24)31-18-27-28-19-31/h1-3,5-6,8-9,15-16,18-19,25-26,32H,4,7,10-14,17H2.
What are the key properties of 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol?
2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol has a molecular weight of 430.56 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 10788768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).