1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

C25H36Cl2N2O2 — CID 16660021

IUPAC1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2ccc(OCc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C25H34N2O2.2ClH/c28-25(13-5-2-6-14-25)24(19-27-17-15-26-16-18-27)22-9-11-23(12-10-22)29-20-21-7-3-1-4-8-21;;/h1,3-4,7-12,24,26,28H,2,5-6,13-20H2;2*1H
InChIKeyYJSZZTBEOMBBEJ-UHFFFAOYSA-N
MW467.48 g/mol
LogP4.79
Rot. Bonds7

About 1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 16660021) has the molecular formula C25H36Cl2N2O2 and a molecular weight of 467.48 g/mol. Its IUPAC name is 1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
PubChem CID16660021
Molecular FormulaC25H36Cl2N2O2
Molecular Weight467.48 g/mol
Exact Mass466.22
IUPAC Name1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2ccc(OCc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C25H34N2O2.2ClH/c28-25(13-5-2-6-14-25)24(19-27-17-15-26-16-18-27)22-9-11-23(12-10-22)29-20-21-7-3-1-4-8-21;;/h1,3-4,7-12,24,26,28H,2,5-6,13-20H2;2*1H
InChIKeyYJSZZTBEOMBBEJ-UHFFFAOYSA-N
XLogP4.79
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-fluoro-4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68851913
1-[1-[4-phenylmethoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68855014
1-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 11363941
1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 72817720
1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 143036732
1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215
4-[4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]phenyl]benzonitrile;dihydrochloride
CID 68853707
1-[2-piperazin-1-yl-1-(4-prop-1-ynylphenyl)ethyl]cyclohexan-1-ol
CID 11738909
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol
CID 11256286
1-[1-(3-chloro-4-phenylmethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 11442112
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (CID 16660021) is 1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is Cl.Cl.OC1(C(CN2CCNCC2)c2ccc(OCc3ccccc3)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The InChIKey is YJSZZTBEOMBBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2.2ClH/c28-25(13-5-2-6-14-25)24(19-27-17-15-26-16-18-27)22-9-11-23(12-10-22)29-20-21-7-3-1-4-8-21;;/h1,3-4,7-12,24,26,28H,2,5-6,13-20H2;2*1H.
What are the key properties of 1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 467.48 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 16660021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).