1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine

C27H30Cl2F6N2 — CID 173317333

IUPAC1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine
SMILESCC(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cccc(Cl)c1Cl)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C27H30Cl2F6N2/c1-25(22-8-5-9-23(28)24(22)29,37-12-10-36(11-13-37)21-6-3-2-4-7-21)17-18-14-19(26(30,31)32)16-20(15-18)27(33,34)35/h5,8-9,14-16,21H,2-4,6-7,10-13,17H2,1H3
InChIKeyORNBPVLZODSBAT-UHFFFAOYSA-N
MW567.45 g/mol
LogP8.44
Rot. Bonds5

About 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine

1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine (PubChem CID 173317333) has the molecular formula C27H30Cl2F6N2 and a molecular weight of 567.45 g/mol. Its IUPAC name is 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine
PubChem CID173317333
Molecular FormulaC27H30Cl2F6N2
Molecular Weight567.45 g/mol
Exact Mass566.17
IUPAC Name1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine
SMILESCC(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cccc(Cl)c1Cl)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C27H30Cl2F6N2/c1-25(22-8-5-9-23(28)24(22)29,37-12-10-36(11-13-37)21-6-3-2-4-7-21)17-18-14-19(26(30,31)32)16-20(15-18)27(33,34)35/h5,8-9,14-16,21H,2-4,6-7,10-13,17H2,1H3
InChIKeyORNBPVLZODSBAT-UHFFFAOYSA-N
XLogP8.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.45
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)propan-2-yl]-4-cyclopentylpiperazine
CID 173316816
2-[3,5-bis(trifluoromethyl)phenyl]-2-(4-cyclohexylpiperazin-1-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 21256654
1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)propan-2-yl]-4-(2-methylphenyl)piperazine
CID 173316904
1-[3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)propyl]-4-cyclohexylpiperazine
CID 173317143
1-[1,3-bis[3,5-bis(trifluoromethyl)phenyl]propyl]-4-cyclohexylpiperazine
CID 173316962
4-[3,5-bis(trifluoromethyl)phenyl]-1-(4-cyclohexylpiperazin-1-yl)-1-phenylbutan-2-one
CID 59966198
1-[3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-fluorophenyl)propyl]-4-cyclohexylpiperazine
CID 173317368
2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol
CID 114079755
4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 138739814
4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 27267003
N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-2-(4-cyclohexylpiperazin-1-yl)-2-phenylacetamide;molecular hydrogen
CID 161237581
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine?
The IUPAC name of 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine (CID 173317333) is 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine.
What is the SMILES notation for 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine?
The canonical SMILES for 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine is CC(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cccc(Cl)c1Cl)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine?
The InChIKey is ORNBPVLZODSBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl2F6N2/c1-25(22-8-5-9-23(28)24(22)29,37-12-10-36(11-13-37)21-6-3-2-4-7-21)17-18-14-19(26(30,31)32)16-20(15-18)27(33,34)35/h5,8-9,14-16,21H,2-4,6-7,10-13,17H2,1H3.
What are the key properties of 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine?
1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine has a molecular weight of 567.45 g/mol, XLogP of 8.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2,3-dichlorophenyl)propan-2-yl]-4-cyclohexylpiperazine is sourced from PubChem (CID 173317333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).