4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride

C18H30Cl5N3O — CID 68855601

IUPAC4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride
SMILESCN1CCC(O)(C(CN2CCNCC2)c2ccc(Cl)c(Cl)c2)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H27Cl2N3O.3ClH/c1-22-8-4-18(24,5-9-22)15(13-23-10-6-21-7-11-23)14-2-3-16(19)17(20)12-14;;;/h2-3,12,15,21,24H,4-11,13H2,1H3;3*1H
InChIKeyZJXFGFLJHNPVKL-UHFFFAOYSA-N
MW481.72 g/mol
LogP3.70
Rot. Bonds4

About 4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride

4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride (PubChem CID 68855601) has the molecular formula C18H30Cl5N3O and a molecular weight of 481.72 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride
PubChem CID68855601
Molecular FormulaC18H30Cl5N3O
Molecular Weight481.72 g/mol
Exact Mass479.08
IUPAC Name4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride
SMILESCN1CCC(O)(C(CN2CCNCC2)c2ccc(Cl)c(Cl)c2)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H27Cl2N3O.3ClH/c1-22-8-4-18(24,5-9-22)15(13-23-10-6-21-7-11-23)14-2-3-16(19)17(20)12-14;;;/h2-3,12,15,21,24H,4-11,13H2,1H3;3*1H
InChIKeyZJXFGFLJHNPVKL-UHFFFAOYSA-N
XLogP3.70
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.72
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
CID 68852175
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride
CID 68855594
1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660339
chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 159444729
1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 59701316
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 11361736
1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11475998
1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-ethylcyclohexan-1-ol;dihydrochloride
CID 68853180
1-[2-piperazin-1-yl-1-(4-prop-1-ynylphenyl)ethyl]cyclohexan-1-ol
CID 11738909
1-[1-(3-chloro-4-phenylmethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 11442112
1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 59701176

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride (CID 68855601) is 4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride is CN1CCC(O)(C(CN2CCNCC2)c2ccc(Cl)c(Cl)c2)CC1.Cl.Cl.Cl.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride?
The InChIKey is ZJXFGFLJHNPVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N3O.3ClH/c1-22-8-4-18(24,5-9-22)15(13-23-10-6-21-7-11-23)14-2-3-16(19)17(20)12-14;;;/h2-3,12,15,21,24H,4-11,13H2,1H3;3*1H.
What are the key properties of 4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride?
4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride has a molecular weight of 481.72 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride is sourced from PubChem (CID 68855601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).