2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol

C22H24N4O — CID 46885611

IUPAC2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCNCC1
InChIInChI=1S/C22H24N4O/c27-22(19-8-4-10-24-16-19,20-9-5-11-25-17-20)21(18-6-2-1-3-7-18)26-14-12-23-13-15-26/h1-11,16-17,21,23,27H,12-15H2
InChIKeyDDCLWOGSNNHDJS-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.36
Rot. Bonds5

About 2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol

2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol (PubChem CID 46885611) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol.

Molecular Properties

Compound Name2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol
PubChem CID46885611
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCNCC1
InChIInChI=1S/C22H24N4O/c27-22(19-8-4-10-24-16-19,20-9-5-11-25-17-20)21(18-6-2-1-3-7-18)26-14-12-23-13-15-26/h1-11,16-17,21,23,27H,12-15H2
InChIKeyDDCLWOGSNNHDJS-UHFFFAOYSA-N
XLogP2.36
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol?
The IUPAC name of 2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol (CID 46885611) is 2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol.
What is the SMILES notation for 2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol?
The canonical SMILES for 2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol is OC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCNCC1.
What is the InChIKey of 2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol?
The InChIKey is DDCLWOGSNNHDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(19-8-4-10-24-16-19,20-9-5-11-25-17-20)21(18-6-2-1-3-7-18)26-14-12-23-13-15-26/h1-11,16-17,21,23,27H,12-15H2.
What are the key properties of 2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol?
2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol has a molecular weight of 360.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperazin-1-yl-1,1-dipyridin-3-ylethanol is sourced from PubChem (CID 46885611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).