2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol

C20H22N4O — CID 3155245

IUPAC2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C20H22N4O/c25-15-14-23-10-12-24(13-11-23)20-18-9-5-4-8-17(18)19(21-22-20)16-6-2-1-3-7-16/h1-9,25H,10-15H2
InChIKeyIPGGBRDLOCZFCK-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol

2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol (PubChem CID 3155245) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol
PubChem CID3155245
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C20H22N4O/c25-15-14-23-10-12-24(13-11-23)20-18-9-5-4-8-17(18)19(21-22-20)16-6-2-1-3-7-16/h1-9,25H,10-15H2
InChIKeyIPGGBRDLOCZFCK-UHFFFAOYSA-N
XLogP2.41
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol (CID 3155245) is 2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol is OCCN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol?
The InChIKey is IPGGBRDLOCZFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-15-14-23-10-12-24(13-11-23)20-18-9-5-4-8-17(18)19(21-22-20)16-6-2-1-3-7-16/h1-9,25H,10-15H2.
What are the key properties of 2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol?
2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol has a molecular weight of 334.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 3155245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).