1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride

C19H31Cl2FN2O — CID 24894788

IUPAC1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCN1CCN(CC(c2cccc(F)c2)C2(O)CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C19H29FN2O.2ClH/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19;;/h5-7,14,18,23H,2-4,8-13,15H2,1H3;2*1H
InChIKeyWZTBYHQYXSTVTK-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.70
Rot. Bonds4

About 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride

1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 24894788) has the molecular formula C19H31Cl2FN2O and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
PubChem CID24894788
Molecular FormulaC19H31Cl2FN2O
Molecular Weight393.37 g/mol
Exact Mass392.18
IUPAC Name1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCN1CCN(CC(c2cccc(F)c2)C2(O)CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C19H29FN2O.2ClH/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19;;/h5-7,14,18,23H,2-4,8-13,15H2,1H3;2*1H
InChIKeyWZTBYHQYXSTVTK-UHFFFAOYSA-N
XLogP3.70
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride with MolForge

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Related Compounds

Trihexyphenidyl
CID 5572
Trihexyphenidyl Hydrochloride
CID 66007
Hexocyclium
CID 24199
Trihexyphenidyl, (R)-
CID 207843
Cyclohexanol, 1-[1-(3-chlorophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-
CID 10314993
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-[1-(3-Chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 24895127
1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 24895131

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride (CID 24894788) is 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride is CN1CCN(CC(c2cccc(F)c2)C2(O)CCCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
The InChIKey is WZTBYHQYXSTVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O.2ClH/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19;;/h5-7,14,18,23H,2-4,8-13,15H2,1H3;2*1H.
What are the key properties of 1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
1-[1-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 393.37 g/mol, XLogP of 3.70, 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]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 24894788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).