1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone

C18H25FN2O — CID 113073065

IUPAC1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H25FN2O/c19-17-9-5-4-6-15(17)14-18(22)21-12-10-20(11-13-21)16-7-2-1-3-8-16/h4-6,9,16H,1-3,7-8,10-14H2
InChIKeyIHYRAUFRLRJJOJ-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone

1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone (PubChem CID 113073065) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
PubChem CID113073065
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H25FN2O/c19-17-9-5-4-6-15(17)14-18(22)21-12-10-20(11-13-21)16-7-2-1-3-8-16/h4-6,9,16H,1-3,7-8,10-14H2
InChIKeyIHYRAUFRLRJJOJ-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Brl-52656
CID 9865223
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
2-Amino-3-phenyl-1-(piperidin-1-yl)propan-1-one hydrochloride
CID 24761491
1-(4-Ethylpiperazin-1-yl)-2-phenylethanone
CID 3328378
1-[(4-Trifluoromethylphenyl)acetyl]-2-(1-pyrrolidinylmethyl)piperidine
CID 14810960
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
1-Benzoyl-4-(2-phenylethyl)piperazine
CID 2971413
1-(4-Ethylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
CID 4438911
4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 4784804
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone (CID 113073065) is 1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone?
The InChIKey is IHYRAUFRLRJJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-17-9-5-4-6-15(17)14-18(22)21-12-10-20(11-13-21)16-7-2-1-3-8-16/h4-6,9,16H,1-3,7-8,10-14H2.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone?
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone has a molecular weight of 304.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 113073065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).