5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol

C30H28F3NO5S — CID 10053779

IUPAC5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol
SMILESO=S(=O)(c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C30H28F3NO5S/c31-30(32,33)40(36,37)26-12-4-21(5-13-26)27-14-6-22-20-23(35)7-15-28(22)29(27)39-25-10-8-24(9-11-25)38-19-18-34-16-2-1-3-17-34/h4-15,20,35H,1-3,16-19H2
InChIKeyKJGPVSPRZOGARH-UHFFFAOYSA-N
MW571.62 g/mol
LogP7.16
Rot. Bonds8

About 5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol

5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol (PubChem CID 10053779) has the molecular formula C30H28F3NO5S and a molecular weight of 571.62 g/mol. Its IUPAC name is 5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol.

Molecular Properties

Compound Name5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol
PubChem CID10053779
Molecular FormulaC30H28F3NO5S
Molecular Weight571.62 g/mol
Exact Mass571.16
IUPAC Name5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol
SMILESO=S(=O)(c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C30H28F3NO5S/c31-30(32,33)40(36,37)26-12-4-21(5-13-26)27-14-6-22-20-23(35)7-15-28(22)29(27)39-25-10-8-24(9-11-25)38-19-18-34-16-2-1-3-17-34/h4-15,20,35H,1-3,16-19H2
InChIKeyKJGPVSPRZOGARH-UHFFFAOYSA-N
XLogP7.16
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.62
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]naphthalen-2-ol;hydrochloride
CID 68519458
butanedioic acid;6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 68516743
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 68520285
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-thiophen-3-ylnaphthalen-2-ol
CID 58338597
6-(5-methylsulfonylthiophen-3-yl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;2,2,2-trifluoroacetic acid
CID 67308660
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one
CID 11504179
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
6-(5-methylthiophen-3-yl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 58338573
5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylsulfonylphenyl)naphthalen-2-ol
CID 122631776

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol?
The IUPAC name of 5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol (CID 10053779) is 5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol.
What is the SMILES notation for 5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol?
The canonical SMILES for 5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol is O=S(=O)(c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1)C(F)(F)F.
What is the InChIKey of 5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol?
The InChIKey is KJGPVSPRZOGARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3NO5S/c31-30(32,33)40(36,37)26-12-4-21(5-13-26)27-14-6-22-20-23(35)7-15-28(22)29(27)39-25-10-8-24(9-11-25)38-19-18-34-16-2-1-3-17-34/h4-15,20,35H,1-3,16-19H2.
What are the key properties of 5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol?
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol has a molecular weight of 571.62 g/mol, XLogP of 7.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol is sourced from PubChem (CID 10053779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).