2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C22H35FN4O+2 — CID 7417741

IUPAC2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(C[NH+]1CC[NH+](C2CCCCC2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H33FN4O/c23-20-8-4-5-9-21(20)26-14-16-27(17-15-26)22(28)18-24-10-12-25(13-11-24)19-6-2-1-3-7-19/h4-5,8-9,19H,1-3,6-7,10-18H2/p+2
InChIKeyOOQCUEJZVJMVNZ-UHFFFAOYSA-P
MW390.55 g/mol
LogP-0.41
Rot. Bonds4

About 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 7417741) has the molecular formula C22H35FN4O+2 and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID7417741
Molecular FormulaC22H35FN4O+2
Molecular Weight390.55 g/mol
Exact Mass390.28
IUPAC Name2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(C[NH+]1CC[NH+](C2CCCCC2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H33FN4O/c23-20-8-4-5-9-21(20)26-14-16-27(17-15-26)22(28)18-24-10-12-25(13-11-24)19-6-2-1-3-7-19/h4-5,8-9,19H,1-3,6-7,10-18H2/p+2
InChIKeyOOQCUEJZVJMVNZ-UHFFFAOYSA-P
XLogP-0.41
TPSA32.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 7417593
N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166319
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277
1-(4-cycloheptylpiperazin-4-ium-1-yl)-2-phenylethanone
CID 4743044
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 109014531
2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826997
N-cyclopropyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158364
3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride
CID 110184358
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 7417741) is 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is O=C(C[NH+]1CC[NH+](C2CCCCC2)CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is OOQCUEJZVJMVNZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H33FN4O/c23-20-8-4-5-9-21(20)26-14-16-27(17-15-26)22(28)18-24-10-12-25(13-11-24)19-6-2-1-3-7-19/h4-5,8-9,19H,1-3,6-7,10-18H2/p+2.
What are the key properties of 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 390.55 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 7417741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).