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

C25H32Cl2N2O2 — CID 59701316

IUPAC1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CN2CCNCC2)C2(O)CCCCC2)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H32Cl2N2O2/c1-31-24-8-6-19(15-20(24)18-5-7-22(26)23(27)16-18)21(17-29-13-11-28-12-14-29)25(30)9-3-2-4-10-25/h5-8,15-16,21,28,30H,2-4,9-14,17H2,1H3
InChIKeyNSVWSLUATRBHRL-UHFFFAOYSA-N
MW463.45 g/mol
LogP5.35
Rot. Bonds6

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

1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 59701316) has the molecular formula C25H32Cl2N2O2 and a molecular weight of 463.45 g/mol. Its IUPAC name is 1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID59701316
Molecular FormulaC25H32Cl2N2O2
Molecular Weight463.45 g/mol
Exact Mass462.18
IUPAC Name1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CN2CCNCC2)C2(O)CCCCC2)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H32Cl2N2O2/c1-31-24-8-6-19(15-20(24)18-5-7-22(26)23(27)16-18)21(17-29-13-11-28-12-14-29)25(30)9-3-2-4-10-25/h5-8,15-16,21,28,30H,2-4,9-14,17H2,1H3
InChIKeyNSVWSLUATRBHRL-UHFFFAOYSA-N
XLogP5.35
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[4-methoxy-3-(4-methylphenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037078
1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660339
1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11475998
1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 59701176
chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 159444729
4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride
CID 68855601
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-(3-chloro-4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 68853409
tert-butyl 4-[2-(1-hydroxycyclohexyl)-2-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]piperazine-1-carboxylate
CID 68854054
4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol
CID 59701186
1-[1-(3-fluoro-4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68851913

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 59701316) is 1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is COc1ccc(C(CN2CCNCC2)C2(O)CCCCC2)cc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is NSVWSLUATRBHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O2/c1-31-24-8-6-19(15-20(24)18-5-7-22(26)23(27)16-18)21(17-29-13-11-28-12-14-29)25(30)9-3-2-4-10-25/h5-8,15-16,21,28,30H,2-4,9-14,17H2,1H3.
What are the key properties of 1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 463.45 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 59701316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).