1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride

C20H26Cl4N2O2 — CID 14422865

IUPAC1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
SMILESCl.Cl.OC(CCN1CCN(c2ccc(Cl)cc2)CC1)COc1ccc(Cl)cc1
InChIInChI=1S/C20H24Cl2N2O2.2ClH/c21-16-1-5-18(6-2-16)24-13-11-23(12-14-24)10-9-19(25)15-26-20-7-3-17(22)4-8-20;;/h1-8,19,25H,9-15H2;2*1H
InChIKeyWXSXTRCJWWWSPL-UHFFFAOYSA-N
MW468.25 g/mol
LogP4.79
Rot. Bonds7

About 1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride

1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride (PubChem CID 14422865) has the molecular formula C20H26Cl4N2O2 and a molecular weight of 468.25 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
PubChem CID14422865
Molecular FormulaC20H26Cl4N2O2
Molecular Weight468.25 g/mol
Exact Mass466.07
IUPAC Name1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
SMILESCl.Cl.OC(CCN1CCN(c2ccc(Cl)cc2)CC1)COc1ccc(Cl)cc1
InChIInChI=1S/C20H24Cl2N2O2.2ClH/c21-16-1-5-18(6-2-16)24-13-11-23(12-14-24)10-9-19(25)15-26-20-7-3-17(22)4-8-20;;/h1-8,19,25H,9-15H2;2*1H
InChIKeyWXSXTRCJWWWSPL-UHFFFAOYSA-N
XLogP4.79
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.25
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol
CID 14422864
1-(4-chlorophenoxy)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
CID 14422870
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol
CID 14422879
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
4-[4-(3-hydroxy-4-phenoxybutyl)piperazin-1-yl]benzonitrile
CID 19840232
1-[4-[2-hydroxy-4-(4-methylpiperazin-1-yl)butoxy]phenoxy]-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 3131868
[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 3954727
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 16645513
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol
CID 15631758

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride (CID 14422865) is 1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride is Cl.Cl.OC(CCN1CCN(c2ccc(Cl)cc2)CC1)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride?
The InChIKey is WXSXTRCJWWWSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2.2ClH/c21-16-1-5-18(6-2-16)24-13-11-23(12-14-24)10-9-19(25)15-26-20-7-3-17(22)4-8-20;;/h1-8,19,25H,9-15H2;2*1H.
What are the key properties of 1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride?
1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride has a molecular weight of 468.25 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride is sourced from PubChem (CID 14422865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).