4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol

C19H27F3N2O3 — CID 59701186

IUPAC4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol
SMILESOc1ccc(C(CN2CCNCC2)C2(O)CCCCC2)cc1OC(F)(F)F
InChIInChI=1S/C19H27F3N2O3/c20-19(21,22)27-17-12-14(4-5-16(17)25)15(13-24-10-8-23-9-11-24)18(26)6-2-1-3-7-18/h4-5,12,15,23,25-26H,1-3,6-11,13H2
InChIKeyXWKDFKSBYLBMNC-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.97
Rot. Bonds5

About 4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol

4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol (PubChem CID 59701186) has the molecular formula C19H27F3N2O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol
PubChem CID59701186
Molecular FormulaC19H27F3N2O3
Molecular Weight388.43 g/mol
Exact Mass388.20
IUPAC Name4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol
SMILESOc1ccc(C(CN2CCNCC2)C2(O)CCCCC2)cc1OC(F)(F)F
InChIInChI=1S/C19H27F3N2O3/c20-19(21,22)27-17-12-14(4-5-16(17)25)15(13-24-10-8-23-9-11-24)18(26)6-2-1-3-7-18/h4-5,12,15,23,25-26H,1-3,6-11,13H2
InChIKeyXWKDFKSBYLBMNC-UHFFFAOYSA-N
XLogP2.97
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 59701176
1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215
1-[1-[4-phenylmethoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68855014
ethane;1-[(1S)-2-piperazin-1-yl-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036937
1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 68855618
1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride
CID 68852208
1-[1-[4-methoxy-3-(4-methylphenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037078
1-[1-(3-fluoro-4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68851913
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
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-[2-piperazin-1-yl-1-(4-prop-1-ynylphenyl)ethyl]cyclohexan-1-ol
CID 11738909

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol?
The IUPAC name of 4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol (CID 59701186) is 4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol?
The canonical SMILES for 4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol is Oc1ccc(C(CN2CCNCC2)C2(O)CCCCC2)cc1OC(F)(F)F.
What is the InChIKey of 4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol?
The InChIKey is XWKDFKSBYLBMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O3/c20-19(21,22)27-17-12-14(4-5-16(17)25)15(13-24-10-8-23-9-11-24)18(26)6-2-1-3-7-18/h4-5,12,15,23,25-26H,1-3,6-11,13H2.
What are the key properties of 4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol?
4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol has a molecular weight of 388.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 59701186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).