6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride

C29H29ClFNO3 — CID 67005014

IUPAC6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3F)ccc2c1
InChIInChI=1S/C29H28FNO3.ClH/c30-28-7-3-2-6-26(28)27-14-8-21-20-22(32)9-15-25(21)29(27)34-24-12-10-23(11-13-24)33-19-18-31-16-4-1-5-17-31;/h2-3,6-15,20,32H,1,4-5,16-19H2;1H
InChIKeyVTKCAGQJLSKYSL-UHFFFAOYSA-N
MW494.01 g/mol
LogP7.43
Rot. Bonds7

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

6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride (PubChem CID 67005014) has the molecular formula C29H29ClFNO3 and a molecular weight of 494.01 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
PubChem CID67005014
Molecular FormulaC29H29ClFNO3
Molecular Weight494.01 g/mol
Exact Mass493.18
IUPAC Name6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3F)ccc2c1
InChIInChI=1S/C29H28FNO3.ClH/c30-28-7-3-2-6-26(28)27-14-8-21-20-22(32)9-15-25(21)29(27)34-24-12-10-23(11-13-24)33-19-18-31-16-4-1-5-17-31;/h2-3,6-15,20,32H,1,4-5,16-19H2;1H
InChIKeyVTKCAGQJLSKYSL-UHFFFAOYSA-N
XLogP7.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.01
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
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
[4-[2-(azepan-1-yl)ethoxy]phenyl]-[2-(2,4-difluorophenyl)-6-hydroxynaphthalen-1-yl]methanone;hydrochloride
CID 67005075
1-[2-[4-[2-(2,6-difluorophenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 11340786
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
6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride
CID 69436628
[2-(2,6-difluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 67004256
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]naphthalen-2-ol;hydrochloride
CID 68519458
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-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride?
The IUPAC name of 6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride (CID 67005014) is 6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride is Cl.Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3F)ccc2c1.
What is the InChIKey of 6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride?
The InChIKey is VTKCAGQJLSKYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FNO3.ClH/c30-28-7-3-2-6-26(28)27-14-8-21-20-22(32)9-15-25(21)29(27)34-24-12-10-23(11-13-24)33-19-18-31-16-4-1-5-17-31;/h2-3,6-15,20,32H,1,4-5,16-19H2;1H.
What are the key properties of 6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride?
6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride has a molecular weight of 494.01 g/mol, XLogP of 7.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 67005014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).