(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C17H16F2N2O2 — CID 78802706

IUPAC(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1F)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H16F2N2O2/c18-12-5-6-14(19)13(11-12)17(23)21-9-7-20(8-10-21)15-3-1-2-4-16(15)22/h1-6,11,22H,7-10H2
InChIKeyFDHPXOCZYVXQOE-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.63
Rot. Bonds2

About (2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 78802706) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID78802706
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1F)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H16F2N2O2/c18-12-5-6-14(19)13(11-12)17(23)21-9-7-20(8-10-21)15-3-1-2-4-16(15)22/h1-6,11,22H,7-10H2
InChIKeyFDHPXOCZYVXQOE-UHFFFAOYSA-N
XLogP2.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 166198252
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
(5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone
CID 110815113
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,5-difluorobenzoate
CID 46925039
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
4-(2,5-difluorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813489

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 78802706) is (2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is O=C(c1cc(F)ccc1F)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is FDHPXOCZYVXQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-12-5-6-14(19)13(11-12)17(23)21-9-7-20(8-10-21)15-3-1-2-4-16(15)22/h1-6,11,22H,7-10H2.
What are the key properties of (2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 318.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78802706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).