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

C19H31Cl3N2O — CID 24895127

IUPAC1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCN1CCN(CC(c2cccc(Cl)c2)C2(O)CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C19H29ClN2O.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
InChIKeyKVRIVKGFVFCJEI-UHFFFAOYSA-N
MW409.83 g/mol
LogP4.21
Rot. Bonds4

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

1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 24895127) has the molecular formula C19H31Cl3N2O and a molecular weight of 409.83 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
PubChem CID24895127
Molecular FormulaC19H31Cl3N2O
Molecular Weight409.83 g/mol
Exact Mass408.15
IUPAC Name1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCN1CCN(CC(c2cccc(Cl)c2)C2(O)CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C19H29ClN2O.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
InChIKeyKVRIVKGFVFCJEI-UHFFFAOYSA-N
XLogP4.21
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Clobutinol
CID 26937
Clobutinol Hydrochloride
CID 92876
2-(4-Chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
CID 45489280
WY 45,818
CID 132499
1-[1-(3,4-Dichloro-phenyl)-2-dimethylamino-ethyl]-cyclohexanol(HCl)
CID 146431
1-[1-(3-Chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-OL
CID 10265758
Cyclohexanol, 1-[1-(3-chlorophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-
CID 10314993
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-(4-Chlorophenyl)-2-(dimethylamino)ethyl)cyclohexanol
CID 13520310

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride (CID 24895127) is 1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride is CN1CCN(CC(c2cccc(Cl)c2)C2(O)CCCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
The InChIKey is KVRIVKGFVFCJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O.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-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 409.83 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 24895127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).