1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride

C23H29Cl2F3N2O2 — CID 68852208

IUPAC1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCC1
InChIInChI=1S/C23H27F3N2O2.2ClH/c24-23(25,26)30-20-4-1-3-19(15-20)17-5-7-18(8-6-17)21(22(29)9-2-10-22)16-28-13-11-27-12-14-28;;/h1,3-8,15,21,27,29H,2,9-14,16H2;2*1H
InChIKeyNIPZWQGCHHDSKF-UHFFFAOYSA-N
MW493.40 g/mol
LogP5.00
Rot. Bonds6

About 1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride

1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride (PubChem CID 68852208) has the molecular formula C23H29Cl2F3N2O2 and a molecular weight of 493.40 g/mol. Its IUPAC name is 1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride
PubChem CID68852208
Molecular FormulaC23H29Cl2F3N2O2
Molecular Weight493.40 g/mol
Exact Mass492.16
IUPAC Name1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCC1
InChIInChI=1S/C23H27F3N2O2.2ClH/c24-23(25,26)30-20-4-1-3-19(15-20)17-5-7-18(8-6-17)21(22(29)9-2-10-22)16-28-13-11-27-12-14-28;;/h1,3-8,15,21,27,29H,2,9-14,16H2;2*1H
InChIKeyNIPZWQGCHHDSKF-UHFFFAOYSA-N
XLogP5.00
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.40
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride with MolForge

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Related Compounds

4-[2-(1-hydroxycyclohexyl)-2-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]piperazine-1-carboxylic acid;dihydrochloride
CID 162309702
ethane;1-[(1S)-2-piperazin-1-yl-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036937
1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215
chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 159444729
1-[1-[4-(3,5-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 11361736
4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol
CID 59701186
1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 59701176
1-[1-[4-phenylmethoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68855014
4-[4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]phenyl]benzonitrile;dihydrochloride
CID 68853707
1-[(1S)-2-[4-(methylamino)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 68853169
1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol
CID 11750799
(1R)-2-morpholin-4-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 126446750

Frequently Asked Questions

What is the IUPAC name of 1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride?
The IUPAC name of 1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride (CID 68852208) is 1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride?
The canonical SMILES for 1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride is Cl.Cl.OC1(C(CN2CCNCC2)c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCC1.
What is the InChIKey of 1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride?
The InChIKey is NIPZWQGCHHDSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O2.2ClH/c24-23(25,26)30-20-4-1-3-19(15-20)17-5-7-18(8-6-17)21(22(29)9-2-10-22)16-28-13-11-27-12-14-28;;/h1,3-8,15,21,27,29H,2,9-14,16H2;2*1H.
What are the key properties of 1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride?
1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride has a molecular weight of 493.40 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride is sourced from PubChem (CID 68852208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).