[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C31H26F6N2O2 — CID 10210121

IUPAC[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C31H26F6N2O2/c32-30(33,34)26-8-1-21(2-9-26)19-38-13-15-39(16-14-38)29(40)25-6-5-24-18-28(12-7-23(24)17-25)41-20-22-3-10-27(11-4-22)31(35,36)37/h1-12,17-18H,13-16,19-20H2
InChIKeyZTTWRUVIKCZQEN-UHFFFAOYSA-N
MW572.55 g/mol
LogP7.41
Rot. Bonds6

About [6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 10210121) has the molecular formula C31H26F6N2O2 and a molecular weight of 572.55 g/mol. Its IUPAC name is [6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID10210121
Molecular FormulaC31H26F6N2O2
Molecular Weight572.55 g/mol
Exact Mass572.19
IUPAC Name[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C31H26F6N2O2/c32-30(33,34)26-8-1-21(2-9-26)19-38-13-15-39(16-14-38)29(40)25-6-5-24-18-28(12-7-23(24)17-25)41-20-22-3-10-27(11-4-22)31(35,36)37/h1-12,17-18H,13-16,19-20H2
InChIKeyZTTWRUVIKCZQEN-UHFFFAOYSA-N
XLogP7.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.55
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
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Fvxapsutpgihsl-uhfffaoysa-
CID 10740054
15-[2-(Dimethylamino)ethyl]-10-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10090039
Mnbzohwpikxasf-uhfffaoysa-
CID 10593844
Gsk-835726
CID 76956202
[(2S)-2-[2-(2,4-difluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 56683774
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)ethane-1,2-dione
CID 155526437
(3-Methoxynaphthalen-2-yl)(piperidin-1-yl)methanone
CID 2711799
(3-Methoxynaphthalen-2-yl)(morpholino)methanone
CID 2712224
(3,5-Dimethylpiperidin-1-yl)-(3-methoxynaphthalen-2-yl)methanone
CID 24157140

Frequently Asked Questions

What is the IUPAC name of [6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 10210121) is [6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is O=C(c1ccc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is ZTTWRUVIKCZQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F6N2O2/c32-30(33,34)26-8-1-21(2-9-26)19-38-13-15-39(16-14-38)29(40)25-6-5-24-18-28(12-7-23(24)17-25)41-20-22-3-10-27(11-4-22)31(35,36)37/h1-12,17-18H,13-16,19-20H2.
What are the key properties of [6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 572.55 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 10210121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).