1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol

C17H25FN2O — CID 11254838

IUPAC1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol
SMILESCN1CCN(CC(c2cccc(F)c2)C2(O)CCC2)CC1
InChIInChI=1S/C17H25FN2O/c1-19-8-10-20(11-9-19)13-16(17(21)6-3-7-17)14-4-2-5-15(18)12-14/h2,4-5,12,16,21H,3,6-11,13H2,1H3
InChIKeyAPZLULIMMIJDAY-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.07
Rot. Bonds4

About 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol

1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol (PubChem CID 11254838) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol
PubChem CID11254838
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol
SMILESCN1CCN(CC(c2cccc(F)c2)C2(O)CCC2)CC1
InChIInChI=1S/C17H25FN2O/c1-19-8-10-20(11-9-19)13-16(17(21)6-3-7-17)14-4-2-5-15(18)12-14/h2,4-5,12,16,21H,3,6-11,13H2,1H3
InChIKeyAPZLULIMMIJDAY-UHFFFAOYSA-N
XLogP2.07
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hexocyclium
CID 24199
1-(2-(Dimethylamino)-1-(3-(trifluoromethyl)phenyl)ethyl)cyclohexanol
CID 10403428
1-[1-(Phenyl)-2-dimethylaminoethyl]cyclohexanol
CID 13520306
1-[1-(4-Trifluoromethylphenyl)-2-dimethylaminoethyl]cyclohexanol
CID 13520319
1-(2-Dimethylamino-1-p-tolyl-ethyl)-cyclohexanol (HCl)
CID 14739944
1-[1-(3-Fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 24894912
1,2,5-Trimethyl-4-(4-methylbenzyl)-4-piperidinol
CID 550781
1-[1-(3-Fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 24894788
1-[2-(4-Methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 24894792
4-(4-Ethylbenzyl)-1,2,5-trimethylpiperidin-4-ol
CID 3579174
alpha-Ethyl-alpha-phenyl-1-piperidinepropanol
CID 566573
1-[1-(4-Fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11474429

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol?
The IUPAC name of 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol (CID 11254838) is 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol is CN1CCN(CC(c2cccc(F)c2)C2(O)CCC2)CC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol?
The InChIKey is APZLULIMMIJDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-19-8-10-20(11-9-19)13-16(17(21)6-3-7-17)14-4-2-5-15(18)12-14/h2,4-5,12,16,21H,3,6-11,13H2,1H3.
What are the key properties of 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol?
1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol has a molecular weight of 292.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol is sourced from PubChem (CID 11254838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).