1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

C18H29Cl2FN2O — CID 11474429

IUPAC1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C18H27FN2O.2ClH/c19-16-6-4-15(5-7-16)17(14-21-12-10-20-11-13-21)18(22)8-2-1-3-9-18;;/h4-7,17,20,22H,1-3,8-14H2;2*1H
InChIKeyQHIKEMVZWMXQMI-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.35
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 11474429) has the molecular formula C18H29Cl2FN2O and a molecular weight of 379.35 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
PubChem CID11474429
Molecular FormulaC18H29Cl2FN2O
Molecular Weight379.35 g/mol
Exact Mass378.16
IUPAC Name1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C18H27FN2O.2ClH/c19-16-6-4-15(5-7-16)17(14-21-12-10-20-11-13-21)18(22)8-2-1-3-9-18;;/h4-7,17,20,22H,1-3,8-14H2;2*1H
InChIKeyQHIKEMVZWMXQMI-UHFFFAOYSA-N
XLogP3.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride with MolForge

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Related Compounds

4-Benzyl-4-piperidinol
CID 98152
(+/-)-threo-3-Fluororitalinol
CID 52947218
1-[1-(4-Chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11304005
1-[(1R)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11349975
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11349977
1-[1-(3-Chlorophenyl)-2-piperazin-1-ylethyl]cyclohexanol Dihydrochloride
CID 11383887
1-[1-(3-Fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 24894912
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
1-[2-Piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 24895019
1,1-Diphenyl-4-piperazin-1-ylbutan-1-ol;dihydrochloride
CID 49797395
1-[1-(4-Fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 24894786

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (CID 11474429) is 1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is Cl.Cl.OC1(C(CN2CCNCC2)c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The InChIKey is QHIKEMVZWMXQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O.2ClH/c19-16-6-4-15(5-7-16)17(14-21-12-10-20-11-13-21)18(22)8-2-1-3-9-18;;/h4-7,17,20,22H,1-3,8-14H2;2*1H.
What are the key properties of 1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 379.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 11474429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).