1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone

C25H25FN2O2 — CID 1390511

IUPAC1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H25FN2O2/c26-22-11-13-23(14-12-22)30-19-24(29)27-15-17-28(18-16-27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2
InChIKeyFKDHNPYBEGCTPH-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.14
Rot. Bonds6

About 1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone

1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone (PubChem CID 1390511) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
PubChem CID1390511
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H25FN2O2/c26-22-11-13-23(14-12-22)30-19-24(29)27-15-17-28(18-16-27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2
InChIKeyFKDHNPYBEGCTPH-UHFFFAOYSA-N
XLogP4.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693
1-(4-benzhydrylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone;hydrochloride
CID 2893953
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46100506
1-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 46099721
1-(4-benzhydrylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 4945471
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide
CID 38859014
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(4-benzhydrylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 2944402
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110708825
3-(4-fluorophenyl)-2-methyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 110352181
(2S)-1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 99958556

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone (CID 1390511) is 1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone is O=C(COc1ccc(F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone?
The InChIKey is FKDHNPYBEGCTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-22-11-13-23(14-12-22)30-19-24(29)27-15-17-28(18-16-27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone?
1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone has a molecular weight of 404.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 1390511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).