5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol

C22H25F5N2O — CID 2766056

IUPAC5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol
SMILESOC(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C22H25F5N2O/c23-21(24,22(25,26)27)19(30)11-12-28-13-15-29(16-14-28)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,30H,11-16H2
InChIKeySIZBTPAYTFYIRC-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.34
Rot. Bonds7

About 5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol

5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol (PubChem CID 2766056) has the molecular formula C22H25F5N2O and a molecular weight of 428.45 g/mol. Its IUPAC name is 5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol.

Molecular Properties

Compound Name5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol
PubChem CID2766056
Molecular FormulaC22H25F5N2O
Molecular Weight428.45 g/mol
Exact Mass428.19
IUPAC Name5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol
SMILESOC(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C22H25F5N2O/c23-21(24,22(25,26)27)19(30)11-12-28-13-15-29(16-14-28)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,30H,11-16H2
InChIKeySIZBTPAYTFYIRC-UHFFFAOYSA-N
XLogP4.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol?
The IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol (CID 2766056) is 5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol.
What is the SMILES notation for 5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol?
The canonical SMILES for 5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol is OC(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol?
The InChIKey is SIZBTPAYTFYIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F5N2O/c23-21(24,22(25,26)27)19(30)11-12-28-13-15-29(16-14-28)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,30H,11-16H2.
What are the key properties of 5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol?
5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol has a molecular weight of 428.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzhydrylpiperazin-1-yl)-1,1,1,2,2-pentafluoropentan-3-ol is sourced from PubChem (CID 2766056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).