1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

C24H33Cl3N2O — CID 68855319

IUPAC1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2ccccc2-c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C24H31ClN2O.2ClH/c25-20-8-6-7-19(17-20)21-9-2-3-10-22(21)23(18-27-15-13-26-14-16-27)24(28)11-4-1-5-12-24;;/h2-3,6-10,17,23,26,28H,1,4-5,11-16,18H2;2*1H
InChIKeyKPUWIDSNCDHXKE-UHFFFAOYSA-N
MW471.90 g/mol
LogP5.53
Rot. Bonds5

About 1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 68855319) has the molecular formula C24H33Cl3N2O and a molecular weight of 471.90 g/mol. Its IUPAC name is 1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
PubChem CID68855319
Molecular FormulaC24H33Cl3N2O
Molecular Weight471.90 g/mol
Exact Mass470.17
IUPAC Name1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2ccccc2-c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C24H31ClN2O.2ClH/c25-20-8-6-7-19(17-20)21-9-2-3-10-22(21)23(18-27-15-13-26-14-16-27)24(28)11-4-1-5-12-24;;/h2-3,6-10,17,23,26,28H,1,4-5,11-16,18H2;2*1H
InChIKeyKPUWIDSNCDHXKE-UHFFFAOYSA-N
XLogP5.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.90
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11475998
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
1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660339
1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol
CID 141116368
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-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 11361736
chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 159444729
1-[1-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexan-1-ol
CID 11717448
1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11232276
1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 59701316
1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride
CID 141128619

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (CID 68855319) is 1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is Cl.Cl.OC1(C(CN2CCNCC2)c2ccccc2-c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The InChIKey is KPUWIDSNCDHXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O.2ClH/c25-20-8-6-7-19(17-20)21-9-2-3-10-22(21)23(18-27-15-13-26-14-16-27)24(28)11-4-1-5-12-24;;/h2-3,6-10,17,23,26,28H,1,4-5,11-16,18H2;2*1H.
What are the key properties of 1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 471.90 g/mol, XLogP of 5.53, 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-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 68855319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).