1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

C20H29F3N2O3 — CID 59701176

IUPAC1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CN2CCNCC2)C2(O)CCCCC2)cc1OC(F)(F)F
InChIInChI=1S/C20H29F3N2O3/c1-27-17-6-5-15(13-18(17)28-20(21,22)23)16(14-25-11-9-24-10-12-25)19(26)7-3-2-4-8-19/h5-6,13,16,24,26H,2-4,7-12,14H2,1H3
InChIKeyXGVPDSFGZMQZOG-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.28
Rot. Bonds6

About 1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 59701176) has the molecular formula C20H29F3N2O3 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID59701176
Molecular FormulaC20H29F3N2O3
Molecular Weight402.46 g/mol
Exact Mass402.21
IUPAC Name1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CN2CCNCC2)C2(O)CCCCC2)cc1OC(F)(F)F
InChIInChI=1S/C20H29F3N2O3/c1-27-17-6-5-15(13-18(17)28-20(21,22)23)16(14-25-11-9-24-10-12-25)19(26)7-3-2-4-8-19/h5-6,13,16,24,26H,2-4,7-12,14H2,1H3
InChIKeyXGVPDSFGZMQZOG-UHFFFAOYSA-N
XLogP3.28
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol
CID 59701186
1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 68855618
1-[1-[4-phenylmethoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68855014
1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215
ethane;1-[(1S)-2-piperazin-1-yl-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036937
1-[1-[4-methoxy-3-(4-methylphenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037078
1-[1-[3-(3,4-dichlorophenyl)-4-methoxyphenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 59701316
1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride
CID 68852208
1-[1-(3-fluoro-4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68851913
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-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol
CID 21241517

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 59701176) is 1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is COc1ccc(C(CN2CCNCC2)C2(O)CCCCC2)cc1OC(F)(F)F.
What is the InChIKey of 1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is XGVPDSFGZMQZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O3/c1-27-17-6-5-15(13-18(17)28-20(21,22)23)16(14-25-11-9-24-10-12-25)19(26)7-3-2-4-8-19/h5-6,13,16,24,26H,2-4,7-12,14H2,1H3.
What are the key properties of 1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 402.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 59701176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).