1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone

C25H27N3O2 — CID 3994190

IUPAC1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone
SMILESCC1CN(c2ccccn2)C(C)CN1C(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c1-19-18-28(20(2)17-27(19)23-15-9-10-16-26-23)24(29)25(30,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,19-20,30H,17-18H2,1-2H3
InChIKeyCXJFQPSXYKSEFJ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.44
Rot. Bonds4

About 1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone

1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone (PubChem CID 3994190) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone
PubChem CID3994190
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone
SMILESCC1CN(c2ccccn2)C(C)CN1C(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c1-19-18-28(20(2)17-27(19)23-15-9-10-16-26-23)24(29)25(30,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,19-20,30H,17-18H2,1-2H3
InChIKeyCXJFQPSXYKSEFJ-UHFFFAOYSA-N
XLogP3.44
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone?
The IUPAC name of 1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone (CID 3994190) is 1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone.
What is the SMILES notation for 1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone?
The canonical SMILES for 1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone is CC1CN(c2ccccn2)C(C)CN1C(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone?
The InChIKey is CXJFQPSXYKSEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-19-18-28(20(2)17-27(19)23-15-9-10-16-26-23)24(29)25(30,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,19-20,30H,17-18H2,1-2H3.
What are the key properties of 1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone?
1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone has a molecular weight of 401.51 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)-2-hydroxy-2,2-diphenylethanone is sourced from PubChem (CID 3994190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).