1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

C24H30Cl2N2O — CID 11475998

IUPAC1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2ccccc2-c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C24H30Cl2N2O/c25-22-9-8-18(16-23(22)26)19-6-2-3-7-20(19)21(17-28-14-12-27-13-15-28)24(29)10-4-1-5-11-24/h2-3,6-9,16,21,27,29H,1,4-5,10-15,17H2
InChIKeyOVOXVCGLRYMTSR-UHFFFAOYSA-N
MW433.42 g/mol
LogP5.34
Rot. Bonds5

About 1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 11475998) has the molecular formula C24H30Cl2N2O and a molecular weight of 433.42 g/mol. Its IUPAC name is 1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID11475998
Molecular FormulaC24H30Cl2N2O
Molecular Weight433.42 g/mol
Exact Mass432.17
IUPAC Name1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2ccccc2-c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C24H30Cl2N2O/c25-22-9-8-18(16-23(22)26)19-6-2-3-7-20(19)21(17-28-14-12-27-13-15-28)24(29)10-4-1-5-11-24/h2-3,6-9,16,21,27,29H,1,4-5,10-15,17H2
InChIKeyOVOXVCGLRYMTSR-UHFFFAOYSA-N
XLogP5.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.42
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68855319
1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660339
1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 59701316
chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 159444729
1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 11361736
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride
CID 68855773
4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride
CID 68855601
1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclooctan-1-ol;1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cycloheptan-1-ol
CID 158483163
1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol
CID 141116368
1-[1-(5-chlorothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11324941
4-[4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]phenyl]benzonitrile;dihydrochloride
CID 68853707

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 11475998) is 1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is OC1(C(CN2CCNCC2)c2ccccc2-c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is OVOXVCGLRYMTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O/c25-22-9-8-18(16-23(22)26)19-6-2-3-7-20(19)21(17-28-14-12-27-13-15-28)24(29)10-4-1-5-11-24/h2-3,6-9,16,21,27,29H,1,4-5,10-15,17H2.
What are the key properties of 1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 433.42 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 11475998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).