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

C29H29NO3 — CID 10296965

IUPAC6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
SMILESOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)ccc2c1
InChIInChI=1S/C29H29NO3/c31-24-10-16-28-23(21-24)9-15-27(22-7-3-1-4-8-22)29(28)33-26-13-11-25(12-14-26)32-20-19-30-17-5-2-6-18-30/h1,3-4,7-16,21,31H,2,5-6,17-20H2
InChIKeyXIMMYRJLAJWSFC-UHFFFAOYSA-N
MW439.56 g/mol
LogP6.87
Rot. Bonds7

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

6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol (PubChem CID 10296965) has the molecular formula C29H29NO3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol.

Molecular Properties

Compound Name6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
PubChem CID10296965
Molecular FormulaC29H29NO3
Molecular Weight439.56 g/mol
Exact Mass439.21
IUPAC Name6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
SMILESOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)ccc2c1
InChIInChI=1S/C29H29NO3/c31-24-10-16-28-23(21-24)9-15-27(22-7-3-1-4-8-22)29(28)33-26-13-11-25(12-14-26)32-20-19-30-17-5-2-6-18-30/h1,3-4,7-16,21,31H,2,5-6,17-20H2
InChIKeyXIMMYRJLAJWSFC-UHFFFAOYSA-N
XLogP6.87
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-thiophen-3-ylnaphthalen-2-ol
CID 58338597
6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 67005014
6-(5-methylthiophen-3-yl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 58338573
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol
CID 10053779
butanedioic acid;6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 68516743
6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride
CID 69436628
5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one
CID 11504179
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]naphthalen-2-ol;hydrochloride
CID 68519458
2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide
CID 58878023
6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 68520285
2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile
CID 58338536

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol?
The IUPAC name of 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol (CID 10296965) is 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol.
What is the SMILES notation for 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol?
The canonical SMILES for 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol is Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)ccc2c1.
What is the InChIKey of 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol?
The InChIKey is XIMMYRJLAJWSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO3/c31-24-10-16-28-23(21-24)9-15-27(22-7-3-1-4-8-22)29(28)33-26-13-11-25(12-14-26)32-20-19-30-17-5-2-6-18-30/h1,3-4,7-16,21,31H,2,5-6,17-20H2.
What are the key properties of 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol?
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol has a molecular weight of 439.56 g/mol, XLogP of 6.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol is sourced from PubChem (CID 10296965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).