1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol

C22H26Cl2N2O — CID 11361736

IUPAC1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
SMILESOC1(C(CN2CCNCC2)c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CCC1
InChIInChI=1S/C22H26Cl2N2O/c23-19-12-18(13-20(24)14-19)16-2-4-17(5-3-16)21(22(27)6-1-7-22)15-26-10-8-25-9-11-26/h2-5,12-14,21,25,27H,1,6-11,15H2
InChIKeyNFYJPYOLXCTCLC-UHFFFAOYSA-N
MW405.37 g/mol
LogP4.56
Rot. Bonds5

About 1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol

1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol (PubChem CID 11361736) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is 1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
PubChem CID11361736
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC Name1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
SMILESOC1(C(CN2CCNCC2)c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CCC1
InChIInChI=1S/C22H26Cl2N2O/c23-19-12-18(13-20(24)14-19)16-2-4-17(5-3-16)21(22(27)6-1-7-22)15-26-10-8-25-9-11-26/h2-5,12-14,21,25,27H,1,6-11,15H2
InChIKeyNFYJPYOLXCTCLC-UHFFFAOYSA-N
XLogP4.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol with MolForge

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Related Compounds

4-[4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]phenyl]benzonitrile;dihydrochloride
CID 68853707
chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 159444729
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660339
1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride
CID 68852208
1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 59701316
1-[2-piperazin-1-yl-1-(4-prop-1-ynylphenyl)ethyl]cyclohexan-1-ol
CID 11738909
1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11475998
1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215
4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride
CID 68855601
1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68855319
1-[1-[4-methoxy-3-(4-methylphenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037078

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol?
The IUPAC name of 1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol (CID 11361736) is 1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol is OC1(C(CN2CCNCC2)c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CCC1.
What is the InChIKey of 1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol?
The InChIKey is NFYJPYOLXCTCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/c23-19-12-18(13-20(24)14-19)16-2-4-17(5-3-16)21(22(27)6-1-7-22)15-26-10-8-25-9-11-26/h2-5,12-14,21,25,27H,1,6-11,15H2.
What are the key properties of 1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol?
1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol has a molecular weight of 405.37 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol is sourced from PubChem (CID 11361736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).